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SCHEMBL1335818

SCHEMBL1335818

CNCCCCn1c(C(=O)O)c2c(c(O)c1=O)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.36
▸ FSCN1 Q16658 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TOP1 P11387 2/20 0.33
▸ WDR5 P61964 1/20 0.32
▸ LIPG Q9Y5X9 4/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ PDPK1 O15530 1/20 0.32
▸ PTGER4 P35408 1/20 0.31

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
SCHEMBL1337542 0.92 SMN1; SMN2 (0.35) AKR1B1FSCN1MEN1CYP1A2CYP3A4
SCHEMBL1336931 0.84 SMN1; SMN2 (0.36) AKR1B1FSCN1MEN1CYP1A2CYP2C19
SCHEMBL1338069 0.83 MEN1 (0.34) AKR1B1FSCN1MEN1CYP1A2CYP3A4
SCHEMBL5446552 0.81 POLB (0.38) AKR1B1FSCN1WDR5HDAC1HDAC6
SCHEMBL4483837 0.79 AKR1B1 (0.36) AKR1B1FSCN1WDR5
SCHEMBL13672787 0.79 AKR1B1 (0.38) AKR1B1FSCN1MEN1KMT2AWDR5
SCHEMBL4489034 0.79 AKR1B1 (0.38) AKR1B1HDAC1HDAC6
SCHEMBL4478160 0.79 MEN1 (0.39) AKR1B1FSCN1MEN1CYP1A2CYP2C19
SCHEMBL4480575 0.79 POLB (0.35) AKR1B1FSCN1LIPGHDAC1HDAC6
SCHEMBL4486044 0.78 CNR1 (0.40) FSCN1MEN1KMT2ALIPG

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
EP-1881825-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2013-07-24 — — EP disclosed
US-20130178468-A1 HIV INTEGRASE INHIBITORS VACCA JOSEPH P (US) 2013-07-11 — — US disclosed
US-8293731-B2 HIV integrase inhibitors Merck Sharp + Dohme Corp. (US) 2012-10-23 — — US disclosed
US-20110275621-A1 HIV INTEGRASE INHIBITORS SCHERING CORPORATION 2011-11-10 — — US disclosed
US-7968564-B2 HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-06-28 — — US disclosed
US-20100204201-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-08-12 — — US disclosed
US-7741315-B2 HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-22 — — US disclosed
US-20090054399-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-02-26 — — US disclosed
EP-1881825-A2 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2008-01-30 — — EP disclosed
WO-2006121831-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2006-11-16 — — 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 (4 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-20090054399-A1 HIV INTEGRASE INHIBITORS REV1, POLR1A, POLR2H AKR1B1 683/4885FSCN1 4884/4885MEN1 3932/4885
US-20100204201-A1 HIV INTEGRASE INHIBITORS REV1, CDKN1A, CCNI AKR1B1 858/4885FSCN1 4882/4885MEN1 3937/4885
US-20130178468-A1 HIV INTEGRASE INHIBITORS REV1, CDKN1A, CCNI AKR1B1 858/4885FSCN1 4882/4885MEN1 3937/4885
US-20110275621-A1 HIV INTEGRASE INHIBITORS REV1, CDKN1A, CCNI AKR1B1 858/4885FSCN1 4882/4885MEN1 3937/4885

“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.