SCHEMBL1402196

SCHEMBL1402196

CCOc1ccc(C(=O)O)cc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
RXRA P19793 3/20 0.59
RXRB P28702 3/20 0.59
RXRG P48443 3/20 0.59
MRGPRX4 Q96LA9 5/20 0.53
POLB P06746 1/20 0.52
CASP6 P55212 1/20 0.52
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
SRD5A2 P31213 1/20 0.48
PPARD Q03181 1/20 0.47
PLA2G2D Q9UNK4 1/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CREBBP Q92793 2/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL31401180 0.89 TSHR (0.59) TSHRRXRARXRBRXRGMRGPRX4
SCHEMBL2593666 0.88 THRA (0.59) RXRARXRBRXRGMRGPRX4THRA
SCHEMBL314656 0.88 CREBBP (0.60) TSHRRXRARXRBRXRGTHRA
SCHEMBL30440465 0.88 CREBBP (0.60) TSHRRXRARXRBRXRGTHRA
SCHEMBL1347587 0.88 TSHR (0.60) TSHRRXRARXRBRXRGMRGPRX4
SCHEMBL4785017 0.87 THRA (0.68) TSHRRXRARXRBRXRGMRGPRX4
SCHEMBL27669784 0.87 THRA (0.65) TSHRRXRARXRBRXRGMRGPRX4
SCHEMBL17339621 0.86 RXRA (0.54) TSHRRXRARXRBRXRGMRGPRX4
SCHEMBL7792779 0.86 TSHR (0.62) TSHRRXRARXRBRXRGMRGPRX4
SCHEMBL1458179 0.86 MEN1 (0.57) RXRARXRBRXRGMRGPRX4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3782991-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS The Scripps Research Institute (US) 2021-02-24 EP disclosed
EP-2913326-B1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS SCRIPPS RESEARCH INST (US) 2020-07-15 EP disclosed
US-10544136-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2020-01-28 US disclosed
US-20190084947-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE 2019-03-21 US disclosed
US-9975863-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-22 US disclosed
US-20180009770-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE 2018-01-11 US disclosed
US-20170050941-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-02-23 US disclosed
US-9447028-B2 Therapeutic aryl-amido-aryl compounds and their use KING'S COLLEGE LONDON (GB) 2016-09-20 US disclosed
US-9447028-B2 Therapeutic aryl-amido-aryl compounds and their use KING'S COLLEGE LONDON (GB) 2016-09-20 US disclosed
US-9447028-B2 Therapeutic aryl-amido-aryl compounds and their use KING'S COLLEGE LONDON (GB) 2016-09-20 US disclosed
WO-2010064707-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF アステラス製薬株式会社 (JP) 2010-06-10 WO disclosed
WO-2009151529-A9 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-04-08 WO disclosed
US-20100010001-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-14 US disclosed
WO-2009151529-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-17 WO disclosed
US-6762192-B2 USEFUL IN THERAPY AND PROPHYLAXIS OF EPILEPSY, MIGRAINE, AND OTHER DISORDERS SMITHKLINE BEECHUM P.L.C. (GB) 2004-07-13 US disclosed
EP-1084122-B1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2003-10-22 EP disclosed
US-20020143029-A1 Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity SMITHKLINE BEECHAM P.L.C. 2002-10-03 US disclosed
US-6410555-B1 ANTIEPILEPTIC AGENTS; HEADACHES SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US disclosed
EP-1084122-A1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2001-03-21 EP disclosed
WO-1999065903-A1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1999-12-23 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 (6 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-10544136-B2 Modulators of sphingosine phosphate receptors S1PR1, S1PR3, S1PR2 TSHR 399/4885RXRA 1649/4885RXRB 1587/4885
US-20190084947-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 TSHR 435/4885RXRA 1872/4885RXRB 1771/4885
US-20020143029-A1 Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity CNR1, SCN1B, CNR2 TSHR 471/4885RXRA 1007/4885RXRB 924/4885
US-20180009770-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 TSHR 387/4885RXRA 1426/4885RXRB 1303/4885
US-20170050941-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 TSHR 435/4885RXRA 1872/4885RXRB 1771/4885
US-20100010001-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR4 TSHR 438/4885RXRA 1885/4885RXRB 1771/4885

“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.