SCHEMBL3307756

SCHEMBL3307756

COc1ccc(CNC=O)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.57
GAA P10253 2/20 0.55
CYP3A4 P08684 2/20 0.53
TSHR P16473 2/20 0.53
ALOX15 P16050 2/20 0.53
CYP1A2 P05177 1/20 0.53
NFKB1 P19838 1/20 0.53
ALOX12 P18054 1/20 0.53
ALDH1A1 P00352 1/20 0.51
AOX1 Q06278 1/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
APEX1 P27695 1/20 0.51
KMT2A Q03164 1/20 0.51
TUBB4A P04350 2/20 0.50
TUBB P07437 2/20 0.50
TUBA3C P0DPH7 2/20 0.50
TUBA1B P68363 2/20 0.50
TUBA4A P68366 2/20 0.50
TUBB4B P68371 2/20 0.50

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
SCHEMBL2780708 0.87 ALDH1A1 (0.55) GAACYP3A4TSHRALOX15CYP1A2
SCHEMBL30037244 0.87 ALDH1A1 (0.55) GAACYP3A4TSHRALOX15CYP1A2
SCHEMBL20526456 0.86 ALDH1A1 (0.54) GAACYP3A4TSHRALOX15CYP1A2
SCHEMBL1486251 0.85 ALDH1A1 (0.60) GAAALDH1A1MEN1LMNAKMT2A
SCHEMBL1936524 0.84 CYP1A2 (0.58) TRPV1GAACYP3A4TSHRALOX15
SCHEMBL3306706 0.82 KDM1A (0.49) ALDH1A1MEN1LMNAKMT2AKDM4E
SCHEMBL8532510 0.81 ALOX15 (0.62) TRPV1GAACYP3A4TSHRALOX15
SCHEMBL19189935 0.81 GAA (0.59) GAACYP3A4ALDH1A1MEN1LMNA
SCHEMBL18427657 0.81 ALDH1A1 (0.44) ALDH1A1MEN1LMNAKMT2AKDM4E
SCHEMBL5541189 0.81 GAA (0.50) GAATSHRALDH1A1MEN1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 US disclosed
EP-2128134-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 Shionogi&Co., Ltd. (JP) 2009-12-02 EP disclosed
CN-1044906-C 3(2H) -pyridazinone derivatives, process for their preparation and compositions containing them NISSAN CHEMICAL IND LTD (JP) 1999-09-01 CN disclosed
CN-1126470-A Pyridazinone derivatives NISSAN CHEMICAL IND LTD (JP) 1996-07-10 CN disclosed
US-4388250-A FROM HYDROXYBENZALDEHYDE RHONE POULENC INC. (US) 1983-06-14 US 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 (1 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-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 MMP13, MMP3, MMP26 TRPV1 3702/4885GAA 1044/4885CYP3A4 1239/4885

“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.