Sugi Predict

Sugi Predict / Compounds / SCHEMBL170934

SCHEMBL170934

SCHEMBL170934

CCc1cccc(C)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 4/20 0.46
▸ GABRB2 P47870 4/20 0.46
▸ MPO P05164 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ SHBG P04278 1/20 0.39
▸ PTGS2 P35354 1/20 0.38
▸ KAT6A Q92794 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ NLRP3 Q96P20 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL1145714 0.88 MPO (0.38) GABRA1GABRB2MPOACHEPTGS2
SCHEMBL22306130 0.85 GABRA1 (0.55) GABRA1GABRB2KAT6A
SCHEMBL172634 0.84 MPO (0.38) MPOACHEPTGS2TAAR1CYP1A2
SCHEMBL13064220 0.82 TAAR1 (0.39) GABRA1GABRB2MPOACHETAAR1
SCHEMBL6405866 0.81 TAAR1 (0.46) MPOACHETAAR1CYP1A2CYP2A6
SCHEMBL13180051 0.81 MPO (0.39) MPOACHEPTGS2TAAR1CYP1A2
SCHEMBL14378221 0.80 ALDH1A1 (0.36) GABRA1GABRB2MPOKAT6AALDH1A1
SCHEMBL1145716 0.79 PDCD1 (0.44) GABRA1GABRB2MPOACHETAAR1
SCHEMBL8343195 0.79 MPO (0.38) MPOACHETAAR1CYP1A2CYP2A6
SCHEMBL177422 0.79 MPO (0.38) GABRA1GABRB2MPOACHETAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4358963-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2024-05-01 — — EP disclosed
WO-2022271679-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-12-29 — — WO disclosed
EP-4076418-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-10-26 — — EP disclosed
EP-3971182-A1 2-SUBSTITUTED AMINO-NAPHTH[1,2-D]IMIDAZOL-5-ONE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF PTC Therapeutics, Inc. (US) 2022-03-23 — — EP disclosed
WO-2021147974-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-07-29 — — WO disclosed
WO-2021127429-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2021-06-24 — — WO disclosed
EP-3725775-A1 PYRIDINE- AND PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS Syntrix Biosystems, Inc. (US) 2020-10-21 — — EP disclosed
WO-2020206424-A1 STAT DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-10-08 — — WO disclosed
EP-3394067-B1 4-AMINO-2-(1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL)-6-OXO-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THE RESPECTIVE (1H-INDAZOL-3-YL) DERIVATIVES AS CGMP MODULATORS FOR TREATING CARDIOVASCULAR DISEASES MERCK SHARP & DOHME (US) 2020-04-01 — — EP disclosed
US-10398703-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2019-09-03 — — US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 — — US disclosed
EP-1594878-B1 AVERMECTIN MONOSACCHARIDE DERIVATIVES HAVING PESTICIDAL PROPERTIES MERIAL LTD (GB) 2008-06-04 — — EP disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 — — US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 — — US disclosed
EP-1857459-A2 Pyrazolopyrimidine compound and a process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2007-11-21 — — EP disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 — — US disclosed
US-20070167443-A1 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2007-07-19 — — US disclosed
US-7238685-B2 Benzo-fused heterocycles as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2007-07-03 — — US disclosed
US-7238685-B2 Benzo-fused heterocycles as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2007-07-03 — — US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 — — US 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 GABRA1 326/4885GABRB2 352/4885MPO 1879/4885
US-20070167443-A1 Substituted quinolones and methods of use TOP2A, NQO2, TOP2B GABRA1 3235/4885GABRB2 2513/4885MPO 1169/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 GABRA1 51/4885GABRB2 74/4885MPO 4217/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 GABRA1 326/4885GABRB2 352/4885MPO 1879/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 GABRA1 326/4885GABRB2 352/4885MPO 1879/4885
US-10398703-B2 Therapeutic compounds and uses thereof MUC1, CFTR, SLC26A4 GABRA1 3072/4885GABRB2 2817/4885MPO 26/4885

“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.