SCHEMBL3723136

SCHEMBL3723136

COC(=O)c1cscc1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
POLB P06746 2/20 0.38
RAB9A P51151 1/20 0.38
ERN1 O75460 4/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 3/20 0.36
CFTR P13569 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
FABP6 P51161 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35

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
SCHEMBL6421448 0.82 KDM4E (0.33) ALDH1A1POLBLMNATSHRKDM4E
SCHEMBL6421451 0.82 KDM4E (0.33) ALDH1A1POLBLMNATSHRKDM4E
SCHEMBL68934 0.81 TSHR (0.46) ALDH1A1POLBLMNATSHRKDM4E
SCHEMBL6424408 0.78 MAPK8 (0.35) ALDH1A1POLBLMNATSHRKDM4E
SCHEMBL6424410 0.78 MAPK8 (0.35) ALDH1A1POLBLMNATSHRKDM4E
SCHEMBL5734466 0.75 PTPN1 (0.42) ALDH1A1POLBERN1TSHRKDM4E
SCHEMBL31386711 0.74 FABP6 (0.39) ALDH1A1POLBLMNATSHRKDM4E
SCHEMBL2394883 0.74 MAPK8 (0.43) ALDH1A1POLBLMNATSHRKDM4E
SCHEMBL2619615 0.74 CYP2A6 (0.45) ALDH1A1POLBLMNATSHRKDM4E
SCHEMBL13913259 0.74 PTPN1 (0.46) ALDH1A1POLBLMNATSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115806568-A Method for constructing heteroatom substituted xanthene derivative through palladium-catalyzed cross coupling and application 华东师范大学 2023-03-17 CN disclosed
WO-2010120345-A1 METABOLICALLY INERT ANTIFOLATES: NEW INDICATIONS AND FORMULATIONS NAIR MADHAVAN G (US) 2010-10-21 WO disclosed
US-20100260825-A1 Antifolates for the treatment of cardiovascular, inflammatory, neoplastic, autoimmune and related diseases in sublingual dosage units, film strips, or skin patches NAIR MADHAVAN G 2010-10-14 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-20100260825-A1 Antifolates for the treatment of cardiovascular, inflammatory, neoplastic, autoimmune and related diseases in sublingual dosage units, film strips, or skin patches SLC19A1, TPMT, DHFR ALDH1A1 851/4885POLB 2288/4885RAB9A 2918/4885

“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.