SCHEMBL3971719

SCHEMBL3971719

CONCc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
CHRM2 P08172 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
KMT2A Q03164 2/20 0.42
GAA P10253 2/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MITF O75030 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
GPR35 Q9HC97 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL6880437 0.79 CHRM2 (0.47) LMNACHRM2L3MBTL1KMT2AGAA
SCHEMBL6077274 0.78 TAAR1 (0.61) LMNAL3MBTL1TAAR1KMT2AGAA
SCHEMBL6077314 0.78 LMNA (0.53) LMNAPLA2G1BATG4BCHRM2L3MBTL1
SCHEMBL6077220 0.77 SMN1; SMN2 (0.50) LMNACHRM2TAAR1KMT2AHTT
SCHEMBL6076678 0.77 ALDH1A1 (0.57) LMNACHRM2L3MBTL1TAAR1KMT2A
SCHEMBL6076780 0.77 KDM1A (0.41) L3MBTL1MAOAMAOBHTT
SCHEMBL6881538 0.77 ALDH1A1 (0.50) TAAR1KMT2AMEN1
SCHEMBL8252 0.76 CYP3A4 (0.52) KMT2ACA12CA2CA7CA14
SCHEMBL2441746 0.76 PLA2G1B (0.45) LMNAPLA2G1BATG4BCHRM2L3MBTL1
SCHEMBL6077089 0.75 TAAR1 (0.50) TAAR1KMT2AMAOAMAOBMEN1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6890942-B2 Acyl sulfonamides as inhibitors of HIV integrase BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-10 US claimed
US-20050004232-A1 Acyl sulfonamides as inhibitors of HIV integrase BRISTOL-MYERS SQUIBB COMPANY 2005-01-06 US claimed
WO-2004103278-A2 ACYL SULFONAMIDES AS INHIBITORS OF HIV INTEGRASE BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-02 WO claimed
CN-117924277-A Oxime ether compound and preparation method, pharmaceutical composition and application thereof 中国药科大学 2024-04-26 CN disclosed
US-20180170903-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-06-21 US disclosed
US-20180170903-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-06-21 US disclosed
US-20150291597-A1 NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. 2015-10-15 US disclosed
US-20150291597-A1 NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. 2015-10-15 US disclosed
US-20150291597-A1 NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. 2015-10-15 US disclosed
CN-104918923-A Novel orally bioavailable respiratory control modulating compounds and methods of use thereof GALLEON PHARMACEUTICALS INC 2015-09-16 CN disclosed
WO-2014078575-A2 NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. (US) 2014-05-22 WO disclosed
US-6890942-B2 Acyl sulfonamides as inhibitors of HIV integrase BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-10 US disclosed
US-20050004232-A1 Acyl sulfonamides as inhibitors of HIV integrase BRISTOL-MYERS SQUIBB COMPANY 2005-01-06 US disclosed
WO-2004103278-A2 ACYL SULFONAMIDES AS INHIBITORS OF HIV INTEGRASE BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-02 WO disclosed
EP-1467695-A2 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-10-20 EP disclosed
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20040110804-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
WO-2004004657-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-15 WO disclosed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 US disclosed
WO-2003049690-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 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 (5 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-20050004232-A1 Acyl sulfonamides as inhibitors of HIV integrase ACSS2, ARSA, ASS1 LMNA 4275/4885PLA2G1B 1942/4885ATG4B 3027/4885
US-20040110804-A1 HIV integrase inhibitors CDKN1A, SAMHD1, CTCF LMNA 3521/4885PLA2G1B 3492/4885ATG4B 2996/4885
US-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 LMNA 2590/4885PLA2G1B 4732/4885ATG4B 3844/4885
US-20150291597-A1 NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME MTNR1B, TNNC1, PER2 LMNA 1297/4885PLA2G1B 544/4885ATG4B 2856/4885
US-20180170903-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION TYMP, TYMS, DUT LMNA 1688/4885PLA2G1B 4212/4885ATG4B 3711/4885

“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.