SCHEMBL3765440

SCHEMBL3765440

O=C1Cc2cc(F)ccc2S1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.37
PARP10 Q53GL7 1/20 0.37
BLM P54132 1/20 0.36
NOTUM Q6P988 1/20 0.36
AURKA O14965 1/20 0.35
CHEK2 O96017 1/20 0.35
CDK1 P06493 1/20 0.35
PIM1 P11309 1/20 0.35
FGFR1 P11362 1/20 0.35
CDK2 P24941 1/20 0.35
MARK3 P27448 1/20 0.35
CSNK2A1 P68400 1/20 0.35
MARK2 Q7KZI7 1/20 0.35
ACHE P22303 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL9641861 0.84 PARP1 (0.37) PARP1PARP10NOTUMAURKACHEK2
SCHEMBL29756225 0.83 NOX1 (0.38) PARP1PARP10BLMNOTUMAURKA
SCHEMBL566630 0.82 PARP1 (0.40) PARP1PARP10NOTUMACHEGPR84
SCHEMBL5543938 0.78 DRD2 (0.33) PARP1PARP10NOTUMAURKACHEK2
SCHEMBL16710755 0.76 METAP1 (0.42) PARP1PARP10BLMALDH1A1LMNA
SCHEMBL9700006 0.76 HPGD (0.50) PARP1PARP10BLMCHEK2PIM1
SCHEMBL20734693 0.75 BLM (0.32) BLMALDH1A1HPGDKDM4E
SCHEMBL11704020 0.74 BLM (0.68) BLMGPR84ALDH1A1LMNAMAPT
SCHEMBL11172784 0.72 HTT (0.47) BLMALDH1A1LMNAMAPTMEN1
SCHEMBL20123505 0.71 AURKA (0.44) NOTUMAURKACHEK2CDK1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7847119-B2 Drug conjugates THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2010-12-07 US disclosed
US-7438993-B2 Electrolyte for lithium battery and lithium battery comprising same SAMSUNG SDI CO., LTD. (KR) 2008-10-21 US disclosed
US-7438993-B2 Electrolyte for lithium battery and lithium battery comprising same SAMSUNG SDI CO., LTD. (KR) 2008-10-21 US disclosed
US-20080139815-A1 DRUG CONJUGATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-06-12 US disclosed
US-7282590-B2 Selectively target tumor cells with highly potent cytotoxic drugs at a drug release rate that is effective for the destruction and/or inhibition of tumor cells THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2007-10-16 US disclosed
US-20050232928-A1 Drug conjugates NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-10-20 US disclosed
US-5147889-A Antiinflammatory, analgesic CIBA-GEIGY CORPORATION (US) 1992-09-15 US disclosed
EP-0336886-B1 THIO COMPOUNDS CIBA-GEIGY AG (CH) 1992-08-26 EP disclosed
US-5051421-A Analgesics and antiinflammatory agents CIBA-GEIGY CORPORATION (US) 1991-09-24 US disclosed
EP-0336886-A1 Thio compounds CIBA-GEIGY AG (CH) 1989-10-11 EP 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-20050232928-A1 Drug conjugates RXRB, NR0B1, RXRA PARP1 1511/4885PARP10 1509/4885BLM 1831/4885
US-20080139815-A1 DRUG CONJUGATES RXRB, NR0B1, RXRA PARP1 1574/4885PARP10 1568/4885BLM 1813/4885

“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.