SCHEMBL3682001

SCHEMBL3682001

CON(Cc1ccc(F)cc1)C(=O)C=C(O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.38
RIPK1 Q13546 2/20 0.38
BCL2A1 Q16548 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
CTBP2 P56545 1/20 0.36
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 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
SCHEMBL3681999 1.00 TDP1 (0.39) TDP1TAS2R14RIPK1BCL2A1ALDH1A1
SCHEMBL5797871 1.00 TDP1 (0.39) TDP1TAS2R14RIPK1BCL2A1ALDH1A1
SCHEMBL6077241 0.89 CA12 (0.42) TDP1TAS2R14RIPK1BCL2A1ALDH1A1
SCHEMBL6077249 0.89 CA12 (0.42) TDP1TAS2R14RIPK1BCL2A1ALDH1A1
SCHEMBL6879068 0.87 CTBP2 (0.36) TAS2R14ALDH1A1LMNAMAPTCA12
SCHEMBL6879062 0.87 CTBP2 (0.36) TAS2R14ALDH1A1LMNAMAPTCA12
SCHEMBL6872170 0.87 NPC1 (0.40) LMNACA12CA9CA1CA2
SCHEMBL6872168 0.87 NPC1 (0.40) LMNACA12CA9CA1CA2
SCHEMBL6871375 0.86 TAAR1 (0.41) TDP1ALDH1A1CA12CA1CA2
SCHEMBL6871370 0.86 TAAR1 (0.41) TDP1ALDH1A1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732604-B1 METHODS OF TREATING HIV INFECTION BRISTOL MYERS SQUIBB CO (US) 2010-07-21 EP claimed
EP-1732604-A2 METHODS OF TREATING HIV INFECTION Bristol-Myers Squibb Company (US) 2006-12-20 EP claimed
WO-2006034001-A2 METHODS OF TREATING HIV INFECTION BRISTOL-MYERS SQUIBB COMPANY (US) 2006-03-30 WO claimed
US-20060058286-A1 Methods of treating HIV infection BRISTOL-MYERS SQUIBB COMPANY 2006-03-16 US claimed
WO-2005102391-A1 COMBINATIONS FOR THE TREATMENT OF AIDS OR HIV INFECTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-03 WO claimed
WO-2005102392-A2 COMBINATIONS FOR TREATING HIV INFECTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-03 WO claimed
WO-2005102328-A1 METHODS OF TREATING HIV INFECTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-03 WO claimed
US-20050215545-A1 Methods of treating HIV infection VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2005-09-29 US claimed
US-20050215544-A1 Methods of treating HIV infection BRISTOL-MYERS SQUIBB COMPANY 2005-09-29 US claimed
US-20050215543-A1 Methods of treating HIV infection BRISTOL-MYERS SQUIBB COMPANY 2005-09-29 US claimed
EP-1467695-A2 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-10-20 EP claimed
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US claimed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 US claimed
WO-2003049690-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 WO claimed
US-7776863-B2 Methods of treating HIV infection BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-17 US disclosed
EP-1732604-B1 METHODS OF TREATING HIV INFECTION BRISTOL MYERS SQUIBB CO (US) 2010-07-21 EP disclosed
EP-1732604-A2 METHODS OF TREATING HIV INFECTION Bristol-Myers Squibb Company (US) 2006-12-20 EP disclosed
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US 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-20050215544-A1 Methods of treating HIV infection CCR5, CD4, CCR1 TDP1 2644/4885TAS2R14 4812/4885RIPK1 2441/4885
US-20050215545-A1 Methods of treating HIV infection CCR5, CD4, CCR1 TDP1 2644/4885TAS2R14 4812/4885RIPK1 2441/4885
US-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 TDP1 10/4885TAS2R14 4569/4885RIPK1 1438/4885
US-20050215543-A1 Methods of treating HIV infection CCR5, CD4, CCR1 TDP1 3066/4885TAS2R14 4772/4885RIPK1 1891/4885
US-20060058286-A1 Methods of treating HIV infection CCR5, CD4, CCL11 TDP1 3516/4885TAS2R14 4759/4885RIPK1 2636/4885

“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.