SCHEMBL709880

SCHEMBL709880

CCS(=O)(=O)c1ccc(CO)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.63
CA2 P00918 7/20 0.59
CA1 P00915 4/20 0.59
CA12 O43570 2/20 0.59
CA4 P22748 2/20 0.59
CA6 P23280 2/20 0.59
CA5A P35218 2/20 0.59
CA7 P43166 2/20 0.59
CA9 Q16790 2/20 0.59
CA14 Q9ULX7 2/20 0.59
CA5B Q9Y2D0 2/20 0.59
GAA P10253 1/20 0.54
PTGS2 P35354 2/20 0.47
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP7 P09237 1/20 0.46
MMP9 P14780 1/20 0.46
MMP14 P50281 1/20 0.46
RORC P51449 5/20 0.44
ADAMTS4 O75173 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28906881 0.85 CA2 (0.53) PSIP1CA2CA1CA12CA4
SCHEMBL28163819 0.83 CA2 (0.62) PSIP1CA2CA1CA12CA4
SCHEMBL10455034 0.83 PSIP1 (0.74) PSIP1CA2GAA
SCHEMBL9908320 0.81 PSIP1 (0.68) PSIP1CA2GAARORC
SCHEMBL12610239 0.81 CA2 (0.48) PSIP1CA2CA1CA12CA4
SCHEMBL23536123 0.79 CA2 (0.52) PSIP1CA2CA1CA12CA4
SCHEMBL30026758 0.79 CA2 (0.65) PSIP1CA2CA1CA12CA4
SCHEMBL20323484 0.79 CA1 (0.52) PSIP1CA2CA1CA12CA4
SCHEMBL96651 0.79 PTGS2 (0.68) CA2CA1CA12CA4CA6
SCHEMBL156259 0.78 CA2 (0.67) CA2CA1CA12CA4CA6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187684-B2 Benzimidazole derivatives as modulators of retinoid-related orphan receptor gamma (RORγ) and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2025-01-07 US disclosed
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2024-07-09 US disclosed
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2024-07-09 US disclosed
CN-116514722-A Benzimidazole derivatives as modulators of retinoic acid related orphan receptor gamma (ROR gamma) and pharmaceutical uses thereof 江苏恒瑞医药股份有限公司 2023-08-01 CN disclosed
US-20230130361-A1 Benzimidazole Derivatives as Modulators of Retinoid-Related Orphan Receptor Gamma (RORy) and Pharmaceutical Use Thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2023-04-27 US disclosed
CN-112135611-B Benzimidazole derivatives as modulators of retinoic acid-related orphan receptor gamma (ROR γ) and pharmaceutical uses thereof 江苏恒瑞医药股份有限公司 2023-01-31 CN disclosed
US-11512055-B2 Benzimidazole derivatives as modulators of retinoid-related orphan receptor gamma (RORγ) and pharmaceutical uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2022-11-29 US disclosed
US-20210347765-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORPORATION 2021-11-11 US disclosed
CN-113307772-A Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2021-08-27 CN disclosed
US-20210171471-A1 Benzimidazole Derivatives as Modulators of Retinoid-Related Orphan Receptor Gamma (RORy) and Pharmaceutical Uses Thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-06-10 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
EP-1891068-A1 TRIAZOLOPYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2008-02-27 EP disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
WO-2006138734-A1 TRIAZOLOPYRIMIDINE CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed
WO-2006138695-A1 TRIAZOLOPYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed
US-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 US disclosed
CN-1845894-A phenoxyacetic acid derivatives ASTRAZENECA AB (SE) 2006-10-11 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists CNR1, CNR2, GPR68 PSIP1 964/4885CA2 2182/4885CA1 3284/4885
US-20210171471-A1 Benzimidazole Derivatives as Modulators of Retinoid-Related Orphan Receptor Gamma (RORy) and Pharmaceutical Uses Thereof RORB, RORA, RORC PSIP1 3719/4885CA2 2805/4885CA1 4058/4885
US-11512055-B2 Benzimidazole derivatives as modulators of retinoid-related orphan receptor gamma (RORγ) and pharmaceutical uses thereof RORC, RORB, RORA PSIP1 3852/4885CA2 3426/4885CA1 4394/4885
US-20210347765-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 PSIP1 2752/4885CA2 2703/4885CA1 2622/4885
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists CNR1, CNR2, TRPV1 PSIP1 1766/4885CA2 2069/4885CA1 3091/4885
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 PSIP1 2752/4885CA2 2703/4885CA1 2622/4885
US-12187684-B2 Benzimidazole derivatives as modulators of retinoid-related orphan receptor gamma (RORγ) and pharmaceutical use thereof RORC, RORB, RORA PSIP1 3768/4885CA2 3490/4885CA1 4380/4885
US-20230130361-A1 Benzimidazole Derivatives as Modulators of Retinoid-Related Orphan Receptor Gamma (RORy) and Pharmaceutical Use Thereof RORB, RORA, RORC PSIP1 3664/4885CA2 2873/4885CA1 4045/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.