SCHEMBL28906881

SCHEMBL28906881

CCCS(=O)(=O)c1ccc(CO)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 9/20 0.53
▸ CA1 P00915 3/20 0.53
▸ CA12 O43570 1/20 0.53
▸ CA4 P22748 1/20 0.53
▸ CA6 P23280 1/20 0.53
▸ CA5A P35218 1/20 0.53
▸ CA7 P43166 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ CA14 Q9ULX7 1/20 0.53
▸ CA5B Q9Y2D0 1/20 0.53
▸ PSIP1 O75475 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ MMP7 P09237 1/20 0.43

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
SCHEMBL709880 0.85 PSIP1 (0.63) CA2CA1CA12CA4CA6
SCHEMBL5325324 0.85 CA2 (0.56) CA2CA1CA12CA4CA6
SCHEMBL20300431 0.81 CA2 (0.50) CA2CA1CA12CA4CA6
SCHEMBL95658 0.80 CA2 (0.63) CA2CA1CA12CA4CA6
SCHEMBL3060869 0.80 PSIP1 (0.47) CA2PSIP1ALDH1A1CYP3A4CYP2C9
SCHEMBL1941301 0.80 PSIP1 (0.47) CA2PSIP1ALDH1A1CYP3A4CYP2C9
SCHEMBL3882769 0.80 PSIP1 (0.74) CA2CA1CA12CA4CA6
SCHEMBL3880988 0.80 PSIP1 (0.47) CA2CA1CA12CA9PSIP1
SCHEMBL20709277 0.79 ALDH1A1 (0.50) PSIP1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL165901 0.79 ALDH1A1 (0.58) CA2ALDH1A1KMT2ARORC

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 6 patents. 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
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
CN-112135611-A 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 2020-12-25 — — 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 (3 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-11512055-B2 Benzimidazole derivatives as modulators of retinoid-related orphan receptor gamma (RORγ) and pharmaceutical uses thereof RORC, RORB, RORA CA2 3426/4885CA1 4394/4885CA12 4074/4885
US-12187684-B2 Benzimidazole derivatives as modulators of retinoid-related orphan receptor gamma (RORγ) and pharmaceutical use thereof RORC, RORB, RORA CA2 3490/4885CA1 4380/4885CA12 4073/4885
US-20230130361-A1 Benzimidazole Derivatives as Modulators of Retinoid-Related Orphan Receptor Gamma (RORy) and Pharmaceutical Use Thereof RORB, RORA, RORC CA2 2873/4885CA1 4045/4885CA12 3699/4885

“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.

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