SCHEMBL9529349

SCHEMBL9529349

CCOC(=O)c1ccc(CCl)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.50
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA7 P43166 4/20 0.50
CA9 Q16790 4/20 0.50
CA14 Q9ULX7 4/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAOA P21397 1/20 0.49
TLR4 O00206 1/20 0.46
TLR2 O60603 1/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL879216 0.87 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL2772711 0.85 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL1287501 0.84 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL7930158 0.84 LMNA (0.53) CA12CA1CA2CA7CA9
SCHEMBL198840 0.83 MAPK1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL15083809 0.83 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL9446767 0.83 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL18940424 0.83 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL22912516 0.83 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL18940470 0.83 CA12 (0.53) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0394476-B1 NOVEL 1,3,4-THIADIAZOLE DERIVATIVES AND ANTIULCER AGENTS CONTAINING SAME AS ACTIVE INGREDIENT TSUMURA & CO. (JP) 1993-07-28 EP claimed
EP-0394476-A1 NOVEL 1,3,4-THIADIAZOLE DERIVATIVES AND ANTIULCER AGENTS CONTAINING SAME AS ACTIVE INGREDIENT TSUMURA & CO. (JP) 1990-10-31 EP claimed
JP-2096577-A None JP disclosed
US-11814371-B2 Heterocyclic compound MEDSHINE DISCOVERY INC. (CN) 2023-11-14 US disclosed
US-20230167098-A1 HETEROCYCLIC COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-06-01 US disclosed
EP-4116299-A1 HETEROCYCLIC COMPOUND Medshine Discovery Inc. (CN) 2023-01-11 EP disclosed
CN-103420977-B There is the acetylene-derivative of anti-tumor activity 上海医药集团股份有限公司 2016-06-22 CN disclosed
EP-0394476-B1 NOVEL 1,3,4-THIADIAZOLE DERIVATIVES AND ANTIULCER AGENTS CONTAINING SAME AS ACTIVE INGREDIENT TSUMURA & CO. (JP) 1993-07-28 EP disclosed
US-5106859-A CERTAIN 1,3,4-THIADIAZOLE DERIVATIVES AND ANTI-ULCER AGENT COMPRISING SAID DERIVATIVES AS ACTIVE INGREDIENT TSUMURA & CO. (JP) 1992-04-21 US disclosed
EP-0394476-A1 NOVEL 1,3,4-THIADIAZOLE DERIVATIVES AND ANTIULCER AGENTS CONTAINING SAME AS ACTIVE INGREDIENT TSUMURA & CO. (JP) 1990-10-31 EP disclosed
JP-H0296577-A NOVEL 1,3,4-THIADIAZOLE DERIVATIVE AND ANTI-ULCER AGENT CONTAINING THE SAME DERIVATIVE AS ACTIVE INGREDIENT TSUMURA & CO 1990-04-09 JP 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 (2 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-20230167098-A1 HETEROCYCLIC COMPOUND CYP11B2, CYP4F11, CYP11B1 CA12 2305/4885CA1 3792/4885CA2 4185/4885
US-11814371-B2 Heterocyclic compound CYP11B2, CYP4F11, CYP11B1 CA12 2305/4885CA1 3792/4885CA2 4185/4885

“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.