SCHEMBL306953

SCHEMBL306953

COc1ccc2cc(C(O)C(F)(F)F)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.54
AKR1C3 P42330 6/20 0.53
AKR1C2 P52895 6/20 0.53
PTGS2 P35354 3/20 0.53
PTGS1 P23219 3/20 0.53
TSHR P16473 2/20 0.53
CYP1A2 P05177 2/20 0.53
CDC42 P60953 1/20 0.53
RAC1 P63000 1/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
CYP2C9 P11712 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
AKR1C1 Q04828 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GABBR2 O75899 1/20 0.48
GABBR1 Q9UBS5 1/20 0.48
CYP17A1 P05093 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL10333407 0.97 ABCB11 (0.51) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL2426161 0.83 GABBR2 (0.50) TSHRCYP1A2MAPTTDP1L3MBTL1
SCHEMBL7119211 0.81 AOC3 (0.51) TSHRLMNAL3MBTL1
SCHEMBL18034200 0.81 ABCB11 (0.56) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL23255697 0.78 ABCB11 (0.66) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL5865834 0.78 UGT2B7 (0.57) TSHRCYP1A2GABBR2GABBR1
SCHEMBL2423910 0.78 ABCB11 (0.66) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL9120097 0.78 ABCB11 (0.66) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL30559175 0.78 UGT2B7 (0.57) TSHRCYP1A2GABBR2GABBR1
SCHEMBL30355290 0.78 ABCB11 (0.66) ABCB11AKR1C3AKR1C2PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894040-B2 S1P modulating agents BIOGEN MA INC. (US) 2021-01-19 US disclosed
US-10894040-B2 S1P modulating agents BIOGEN MA INC. (US) 2021-01-19 US disclosed
EP-3660010-A1 S1P MODULATING AGENTS Biogen MA Inc. (US) 2020-06-03 EP disclosed
EP-3660010-A1 S1P MODULATING AGENTS Biogen MA Inc. (US) 2020-06-03 EP disclosed
US-20200038385-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. 2020-02-06 US disclosed
US-20200038385-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. 2020-02-06 US disclosed
EP-3150590-B1 S1P MODULATING AGENTS BIOGEN MA INC (US) 2019-10-16 EP disclosed
EP-3150590-B1 S1P MODULATING AGENTS BIOGEN MA INC (US) 2019-10-16 EP disclosed
US-10406144-B2 SIP modulating agents BIOGEN MA INC. (US) 2019-09-10 US disclosed
US-10406144-B2 SIP modulating agents BIOGEN MA INC. (US) 2019-09-10 US disclosed
US-20090029993-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN LEXICON PHARMACEUTICALS, INC. 2009-01-29 US disclosed
WO-2009014972-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN LEXICON PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed
WO-2009009561-A1 METHODS AND COMPOSITIONS FOR TREATING PULMONARY HYPERTENSION AND RELATED DISEASES AND DISORDERS LEXICON PHARMACEUTICALS, INC. (US) 2009-01-15 WO disclosed
US-20090005381-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS LEXICON PHARMACEUTICALS, INC. 2009-01-01 US disclosed
US-20090005382-A1 METHODS OF USING AND COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS TERSERA THERAPEUTICS LLC 2009-01-01 US disclosed
WO-2009002970-A1 COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS LEXICON PHARMACEUTICALS, INC. (US) 2008-12-31 WO disclosed
WO-2009002964-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS LEXICON PHARMACEUTICALS, INC. (US) 2008-12-31 WO disclosed
EP-1984344-A2 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-10-29 EP disclosed
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use TERSERA THERAPEUTICS LLC 2007-08-16 US disclosed
WO-2007089335-A2 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE LEXICON PHARMACEUTICAL INC. (US) 2007-08-09 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 (7 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-20200038385-A1 S1P MODULATING AGENTS S1PR2, S1PR1, S1PR3 ABCB11 2716/4885AKR1C3 1405/4885AKR1C2 1800/4885
US-10406144-B2 SIP modulating agents S1PR2, S1PR1, S1PR3 ABCB11 2524/4885AKR1C3 3571/4885AKR1C2 3594/4885
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use AADAT, HNMT, TPH1 ABCB11 534/4885AKR1C3 2030/4885AKR1C2 2173/4885
US-10894040-B2 S1P modulating agents S1PR2, S1PR1, S1PR3 ABCB11 599/4885AKR1C3 775/4885AKR1C2 914/4885
US-20090005381-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS TPH1, TPH2, HNMT ABCB11 1522/4885AKR1C3 1089/4885AKR1C2 1185/4885
US-20090029993-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN TPH1, TPH2, HNMT ABCB11 112/4885AKR1C3 1365/4885AKR1C2 1361/4885
US-20090005382-A1 METHODS OF USING AND COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, MAOB ABCB11 1961/4885AKR1C3 796/4885AKR1C2 1146/4885

“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.