SCHEMBL19333368

SCHEMBL19333368

CCC(C)c1ccc2ncsc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.53
NTRK2 Q16620 1/20 0.53
ALDH1A1 P00352 3/20 0.45
PKM P14618 2/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HKDC1 Q2TB90 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FFAR1 O14842 1/20 0.42
DYRK1A Q13627 3/20 0.41
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL21366591 0.88 FFAR1 (0.53) NTRK1NTRK2TAS1R3TAS1R1FFAR1
SCHEMBL21025002 0.87 TAS1R3 (0.51) NTRK1NTRK2ALDH1A1PKMTAS1R3
SCHEMBL18876119 0.87 NTRK1 (0.45) NTRK1NTRK2ALDH1A1PKMTAS1R3
SCHEMBL18713740 0.85 TAS1R3 (0.45) NTRK1NTRK2ALDH1A1PKMTAS1R3
SCHEMBL277372 0.82 NPC1 (0.50) NTRK1NTRK2ALDH1A1TAS1R3TAS1R1
SCHEMBL360534 0.82 TAS1R3 (0.46) NTRK1NTRK2ALDH1A1PKMTAS1R3
SCHEMBL20511819 0.80 NTRK1 (0.42) NTRK1NTRK2ALDH1A1PKMTAS1R3
SCHEMBL24347730 0.79 NPC1 (0.45) NTRK1NTRK2ALDH1A1TAS1R3TAS1R1
SCHEMBL17541595 0.79 NPC1 (0.45) NTRK1NTRK2ALDH1A1TAS1R3TAS1R1
SCHEMBL21123817 0.79 NPC1 (0.45) NTRK1NTRK2ALDH1A1TAS1R3TAS1R1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718641-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-10752598-B2 Aryldiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-10696713-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-30 US disclosed
US-10647711-B2 Azepin-2-one derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-05-12 US disclosed
US-10570153-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-02-25 US disclosed
US-20190194245-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2019-06-27 US disclosed
US-20190152968-A1 AZEPIN-2-ONE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2019-05-23 US disclosed
US-10266560-B2 Bile acid analogs as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-04-23 US disclosed
US-10227340-B2 Thiazolyl- or thiadiazolyl-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-03-12 US disclosed
US-20180072712-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-03-15 US disclosed
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 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 (10 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-10696713-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 NTRK1 4073/4885NTRK2 2793/4885ALDH1A1 2372/4885
US-20190152968-A1 AZEPIN-2-ONE DERIVATIVES AS RSV INHIBITORS AZI2, FURIN, ACE2 NTRK1 4446/4885NTRK2 2504/4885ALDH1A1 1328/4885
US-10266560-B2 Bile acid analogs as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 NTRK1 2500/4885NTRK2 2032/4885ALDH1A1 2623/4885
US-20180072712-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK1, IRAK3 NTRK1 617/4885NTRK2 715/4885ALDH1A1 3990/4885
US-10570153-B2 Benzodiazepine derivatives as RSV inhibitors GABRA5, GABRA1, GABBR2 NTRK1 1808/4885NTRK2 531/4885ALDH1A1 621/4885
US-20190194245-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 NTRK1 4073/4885NTRK2 2793/4885ALDH1A1 2372/4885
US-10647711-B2 Azepin-2-one derivatives as RSV inhibitors AZI2, FURIN, ACE2 NTRK1 4446/4885NTRK2 2504/4885ALDH1A1 1328/4885
US-10227340-B2 Thiazolyl- or thiadiazolyl-substituted pyridyl compounds useful as kinase inhibitors IRAK4, IRAK1, IRAK3 NTRK1 617/4885NTRK2 715/4885ALDH1A1 3990/4885
US-10752598-B2 Aryldiazepine derivatives as RSV inhibitors AHR, FURIN, CYP3A5 NTRK1 2304/4885NTRK2 693/4885ALDH1A1 375/4885
US-11718641-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 NTRK1 4073/4885NTRK2 2793/4885ALDH1A1 2372/4885

“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.