SCHEMBL21856715

SCHEMBL21856715

Cc1cc(-n2c(C(C)C)cc3cc4[nH]ncc4cc32)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.42
FGFR2 P21802 2/20 0.35
TRPA1 O75762 5/20 0.35
PIK3CA P42336 1/20 0.35
FGFR1 P11362 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
MAT2A P31153 1/20 0.34
P2RX7 Q99572 1/20 0.34
TP53 P04637 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
SCHEMBL29536350 1.00 TGFBR1 (0.42) TGFBR1FGFR2TRPA1PIK3CAFGFR1
SCHEMBL30176947 0.91 TGFBR1 (0.41) TGFBR1FGFR2TRPA1PIK3CAFGFR1
SCHEMBL21900977 0.91 TGFBR1 (0.41) TGFBR1FGFR2TRPA1PIK3CAFGFR1
SCHEMBL21856688 0.85 TGFBR1 (0.40) TGFBR1FGFR2TRPA1FGFR1
SCHEMBL29373514 0.85 TGFBR1 (0.40) TGFBR1FGFR2TRPA1FGFR1
SCHEMBL23887995 0.85 TLR8 (0.40) TGFBR1FGFR2TRPA1PIK3CAFGFR1
SCHEMBL30177050 0.85 TLR8 (0.40) TGFBR1FGFR2TRPA1PIK3CAFGFR1
SCHEMBL26321745 0.84 TRPA1 (0.39) TRPA1FGFR1
SCHEMBL26321759 0.83 NOS1 (0.44) TRPA1FGFR1
SCHEMBL21901254 0.82 PIK3CA (0.33) PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12331057-B2 Modulators of alpha-1 antitrypsin VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-17 US disclosed
US-20240336614-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2024-10-10 US disclosed
US-11884672-B2 Modulators of alpha-1 antitrypsin VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-01-30 US disclosed
US-20240002386-A1 SOLID FORMS OF 4-(5-(4-FLUOROPHENYL)-6-(TETRAHYDRO-2H-PYRAN-4-YL)-1,5-DIHYDROPYRROLO[2,3-F]INDAZOL-7-YL)BENZOIC ACID VERTEX PHARMA (US) 2024-01-04 US disclosed
CN-116897157-A Solid forms of 4- (5- (4-fluorophenyl) -6- (tetrahydro-2H-pyran-4-yl) -1, 5-dihydropyrrolo [2,3-F ] indazol-7-yl) benzoic acid 弗特克斯药品有限公司 2023-10-17 CN disclosed
US-20230265080-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMA (US) 2023-08-24 US disclosed
US-20230265080-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMA (US) 2023-08-24 US disclosed
US-11623924-B2 Modulators of alpha-1 antitrypsin VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-11 US disclosed
EP-3969440-A1 CONDENSED TRICYCLIC PYRROLES AS ALPHA-1 ANTITRYPSIN MODULATORS Vertex Pharmaceuticals Incorporated (US) 2022-03-23 EP disclosed
CN-114096542-A Condensed tricyclic pyrroles as alpha-1 antitrypsin modulators 弗特克斯药品有限公司 2022-02-25 CN disclosed
EP-3860712-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN Vertex Pharmaceuticals Incorporated (US) 2021-08-11 EP disclosed
CN-113164761-A Modulators of alpha-1 antitrypsin 弗特克斯药品有限公司 2021-07-23 CN disclosed
US-20210179587-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2021-06-17 US disclosed
US-20210179587-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2021-06-17 US disclosed
WO-2020247160-A1 CONDENSED TRYCICLIC PYRROLES AS ALPHA-1 ANTITRYPSIN MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-12-10 WO disclosed
WO-2020247160-A1 CONDENSED TRYCICLIC PYRROLES AS ALPHA-1 ANTITRYPSIN MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-12-10 WO disclosed
US-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED. 2020-11-19 US disclosed
US-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED. 2020-11-19 US disclosed
WO-2020081257-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-04-23 WO disclosed
WO-2020081257-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-04-23 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 (8 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-20240336614-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINC1, SERPINA3 TGFBR1 713/4885FGFR2 4884/4885TRPA1 4272/4885
US-11884672-B2 Modulators of alpha-1 antitrypsin SERPINA2, SERPINC1, SERPINA3 TGFBR1 713/4885FGFR2 4884/4885TRPA1 4272/4885
US-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINC1, SERPINA3 TGFBR1 713/4885FGFR2 4884/4885TRPA1 4272/4885
US-12331057-B2 Modulators of alpha-1 antitrypsin SERPINA2, SERPINC1, SERPINA3 TGFBR1 713/4885FGFR2 4884/4885TRPA1 4272/4885
US-11623924-B2 Modulators of alpha-1 antitrypsin SERPINA2, SERPINA3, SERPINB1 TGFBR1 1116/4885FGFR2 4885/4885TRPA1 4768/4885
US-20210179587-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 TGFBR1 1116/4885FGFR2 4885/4885TRPA1 4768/4885
US-20240002386-A1 SOLID FORMS OF 4-(5-(4-FLUOROPHENYL)-6-(TETRAHYDRO-2H-PYRAN-4-YL)-1,5-DIHYDROPYRROLO[2,3-F]INDAZOL-7-YL)BENZOIC ACID SERPINA2, SERPINE1, SERPINH1 TGFBR1 840/4885FGFR2 4598/4885TRPA1 4414/4885
US-20230265080-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 TGFBR1 1116/4885FGFR2 4885/4885TRPA1 4768/4885

“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.