SCHEMBL5325324

SCHEMBL5325324

CCCS(=O)(=O)c1ccc(CCO)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.56
CA1 P00915 3/20 0.56
CA12 O43570 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA5A P35218 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
CA5B Q9Y2D0 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.45
PSIP1 O75475 1/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.43
KCNH2 Q12809 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42

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
SCHEMBL95658 0.88 CA2 (0.63) CA2CA1CA12CA4CA6
SCHEMBL28163819 0.86 CA2 (0.62) CA2CA1CA12CA4CA6
SCHEMBL12855853 0.85 CA2 (0.50) CA2CA1CA12CA4CA6
SCHEMBL28906881 0.85 CA2 (0.53) CA2CA1CA12CA4CA6
SCHEMBL5652129 0.82 CA2 (0.53) CA2CA1CA12CA4CA6
SCHEMBL30026617 0.81 CA2 (0.56) CA2CA1CA12CA4CA6
SCHEMBL30026758 0.79 CA2 (0.65) CA2CA1CA12CA4CA6
SCHEMBL95657 0.79 CA2 (0.53) CA2CA1CA12CA9SMN1; SMN2
SCHEMBL9815794 0.78 TDP1 (0.54) CA2CA1CA12CA4CA6
SCHEMBL96074 0.78 CA2 (0.66) 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 4 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
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
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
WO-2007114902-A2 ALKYLTHIOBENZYLPIPERIDINE COMPOUNDS H.LUNDBECK A/S (DK) 2007-10-11 WO 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.