Sugi Predict

Sugi Predict / Compounds / SCHEMBL3140749

SCHEMBL3140749

SCHEMBL3140749

CC(C)Oc1ccc(B(O)O)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ FFAR4 Q5NUL3 2/20 0.39
▸ PARP10 Q53GL7 1/20 0.39
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ PTPN5 P54829 2/20 0.38
▸ POLB P06746 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP3A5 P20815 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ BRPF1 P55201 1/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ EPHX2 P34913 1/20 0.34

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
SCHEMBL29952840 1.00 PDK2 (0.41) PDK2ALDH1A1KMT2AFFAR4PARP10
SCHEMBL29653552 0.81 EPHX2 (0.44) EPHX2
SCHEMBL41862 0.81 EPHX2 (0.44) EPHX2
SCHEMBL5663433 0.80 AR (0.31) PPARGPPARA
SCHEMBL28079449 0.80 RXRA (0.44) PDK2ALDH1A1KMT2AFFAR4PARP10
SCHEMBL3719192 0.79 ALDH1A1 (0.43) PDK2ALDH1A1KMT2AFFAR4PARP10
SCHEMBL29636290 0.77 ALDH1A1 (0.44) PDK2ALDH1A1KMT2AFFAR4PARP10
SCHEMBL20659060 0.77 ALDH1A1 (0.44) PDK2ALDH1A1KMT2AFFAR4PARP10
SCHEMBL12896068 0.77 SLC6A4 (0.43) PDK2ALDH1A1KMT2AFFAR4PARP10
SCHEMBL14198838 0.77 PDK2 (0.41) PDK2ALDH1A1KMT2AFFAR4PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895753-B2 S1P receptor modulating agent MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-11-25 — — US disclosed
EP-2796459-A1 NOVEL S1P RECEPTOR MODULATOR Meiji Seika Pharma Co., Ltd. (JP) 2014-10-29 — — EP disclosed
US-20130217663-A1 NOVEL S1P RECEPTOR MODULATING AGENT MEIJI SEIKA PHARMA CO., LTD. (JP) 2013-08-22 — — US disclosed
EP-1675859-B1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL MYERS SQUIBB CO (US) 2012-12-05 — — EP disclosed
US-7812024-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-12 — — US disclosed
EP-1399445-B9 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2010-07-21 — — EP disclosed
EP-1399445-B1 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2009-08-05 — — EP disclosed
US-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 — — US disclosed
US-7244843-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 — — US disclosed
US-7238690-B2 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 — — US disclosed
US-6699852-B2 ANTISEROTONIN AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-02 — — US disclosed
EP-1343791-A2 SUBSTITUTED TETRACYCLIC PYRIDOINDOLES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-17 — — EP disclosed
US-6548493-B1 Serotonin receptor modulators (5-HT2C and 5-HT2A); treating obesity, anxiety, depression, psychological disorders, migraine, sexual disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 — — US disclosed
US-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-21 — — US disclosed
WO-2002059129-A2 SUBSTITUTED TETRACYCLIC PYRIDOINDOLES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-01 — — WO disclosed
WO-2002059124-A2 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-01 — — WO disclosed
EP-1192165-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES Bristol-Myers Squibb Pharma Company (US) 2002-04-03 — — EP disclosed
EP-1189905-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES Bristol-Myers Squibb Pharma Company (US) 2002-03-27 — — EP disclosed
WO-2000077010-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 — — WO disclosed
WO-2000077001-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 — — 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 (3 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-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 PDK2 1867/4885ALDH1A1 2258/4885KMT2A 3291/4885
US-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS HTR5A, HTR1A, HTR2A PDK2 2662/4885ALDH1A1 4097/4885KMT2A 3307/4885
US-20130217663-A1 NOVEL S1P RECEPTOR MODULATING AGENT S1PR1, S1PR5, S1PR2 PDK2 3699/4885ALDH1A1 2298/4885KMT2A 2067/4885

“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.