Sugi Predict

Sugi Predict / Compounds / SCHEMBL104864

SCHEMBL104864

SCHEMBL104864

CC(C)(C#N)c1ccc(C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 3/20 0.55
▸ RARB P10826 1/20 0.55
▸ RARG P13631 1/20 0.55
▸ TP53 P04637 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ NR1H4 Q96RI1 3/20 0.47
▸ EPHX2 P34913 2/20 0.47
▸ RXRA P19793 4/20 0.46
▸ RXRB P28702 4/20 0.46
▸ RXRG P48443 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ NR4A2 P43354 1/20 0.42
▸ CA12 O43570 1/20 0.41

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
Hydrochloric Acid SCHEMBL9694591 0.98 SRD5A2 (0.53) SRD5A2RARBRARGTP53TSHR
SCHEMBL307335 0.84 EPHX2 (0.44) SRD5A2RARBRARGNR1H4EPHX2
SCHEMBL105946 0.82 RORC (0.39) SRD5A2RARBRARGEPHX2ALDH1A1
SCHEMBL4865950 0.82 EPHX2 (0.45) TSHRNR1H4EPHX2ALDH1A1TDP1
SCHEMBL3638866 0.80 RXRA (0.42) SRD5A2RARBRARGTP53TSHR
SCHEMBL6563317 0.80 KIF11 (0.41) TP53TSHRALDH1A1SMN1; SMN2TDP1
SCHEMBL1756221 0.79 CA1 (0.50) TSHRALDH1A1TDP1MEN1KMT2A
Water SCHEMBL28711864 0.79 SRD5A2 (0.83) SRD5A2RARBRARGTP53TSHR
SCHEMBL3673731 0.78 MEN1 (0.47) SRD5A2ALDH1A1MEN1KMT2A
SCHEMBL825726 0.78 RXRA (0.49) SRD5A2RXRARXRBCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348386-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. 2023-11-02 — — US disclosed
EP-4234552-A2 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF Raze Therapeutics, Inc. (US) 2023-08-30 — — EP disclosed
EP-4234552-A2 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF Raze Therapeutics, Inc. (US) 2023-08-30 — — EP disclosed
EP-3426244-B1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS INC (US) 2023-06-07 — — EP disclosed
US-11578073-B2 Xanthine analogs as potent anti-West Nile viral agents SOUTHERN RESEARCH INSTITUTE (US) 2023-02-14 — — US disclosed
US-11535593-B2 3-phosphoglycerate dehydrogenase inhibitors and uses thereof RAZE THERAPEUTICS, INC. (US) 2022-12-27 — — US disclosed
EP-4008328-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2022-06-08 — — EP disclosed
US-20220017464-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. 2022-01-20 — — US disclosed
US-20210387954-A1 OXADIAZOLES AS FUNGICIDES PI INDUSTRIES LIMITED (IN) 2021-12-16 — — US disclosed
US-20210387954-A1 OXADIAZOLES AS FUNGICIDES PI INDUSTRIES LIMITED (IN) 2021-12-16 — — US disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 — — EP disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 — — EP disclosed
WO-2009053269-A1 NOVEL KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 — — WO disclosed
US-20090105209-A1 BTK protein kinase inhibitors ROCHE PALO ALTO LLC 2009-04-23 — — US disclosed
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 — — US disclosed
WO-2008141446-A1 AMINO ACID DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-11-27 — — WO disclosed
WO-2008141446-A1 AMINO ACID DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-11-27 — — WO disclosed
EP-0358118-B1 Phenylamides - process for their preparation as well as a drug containing those compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-03-16 — — EP disclosed
US-5135949-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1992-08-04 — — US disclosed
EP-0358118-A1 Phenylamides - process for their preparation as well as a drug containing those compounds Roche Diagnostics GmbH (DE) 1990-03-14 — — EP 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-20230348386-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF PHGDH, G6PD, PGD SRD5A2 359/4885RARB 4482/4885RARG 4278/4885
US-20090012010-A1 Amino acid derivatives as calcium channel blockers CACNA1G, CACNA1H, CACNA1I SRD5A2 3039/4885RARB 3580/4885RARG 4375/4885
US-11535593-B2 3-phosphoglycerate dehydrogenase inhibitors and uses thereof PHGDH, G6PD, PGD SRD5A2 359/4885RARB 4482/4885RARG 4278/4885
US-20090105209-A1 BTK protein kinase inhibitors BTK, SYK, LYN SRD5A2 3617/4885RARB 4164/4885RARG 4374/4885
US-11578073-B2 Xanthine analogs as potent anti-West Nile viral agents XDH, PNP, MAVS SRD5A2 2713/4885RARB 1839/4885RARG 2201/4885
US-20210387954-A1 OXADIAZOLES AS FUNGICIDES CYP1B1, CYP1A1, OXA1L SRD5A2 93/4885RARB 4498/4885RARG 4669/4885
US-20220017464-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF PHGDH, G6PD, PGD SRD5A2 359/4885RARB 4482/4885RARG 4278/4885

“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.