SCHEMBL12170409

SCHEMBL12170409

CC(O)(c1cccc(Br)c1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA5A P35218 1/20 0.47
CA9 Q16790 1/20 0.47
HSD11B1 P28845 12/20 0.46
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACHE P22303 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
KIF11 P52732 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL23412097 0.81 CA1 (0.47) CA1CA2CA5ACA9HSD11B1
SCHEMBL13965654 0.80 PTPN5 (0.46) HSD11B1ALDH1A1KIF11
SCHEMBL10165224 0.80 HSD11B1 (0.43) HSD11B1ACHECYP4F2CYP4A11
SCHEMBL17914398 0.80 ACHE (0.50) HSD11B1ALDH1A1ACHEKIF11
SCHEMBL15122792 0.80 CA1 (0.50) CA1CA2CA5ACA9ALDH1A1
SCHEMBL2031538 0.80 CA1 (0.50) CA1CA2CA5ACA9MAPK1
SCHEMBL1738773 0.79 ALDH1A1 (0.44) CA1CA2CA5ACA9ALDH1A1
SCHEMBL29427094 0.79 CA1 (0.53) CA1CA2CA5ACA9ALDH1A1
SCHEMBL12126531 0.79 HSD11B1 (0.43) HSD11B1
SCHEMBL625781 0.79 CA1 (0.53) CA1CA2CA5ACA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11785845-B2 Composition FUJIFILM CORPORATION (JP) 2023-10-10 US disclosed
US-20230149414-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-18 US disclosed
US-20230149414-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-18 US disclosed
EP-4096657-A1 COMPOUNDS AND USES THEREOF Foghorn Therapeutics Inc. (US) 2022-12-07 EP disclosed
WO-2021155316-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-08-05 WO disclosed
WO-2021155316-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-08-05 WO disclosed
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material KANTO DENKA KOGYO CO., LTD. (JP) 2019-10-22 US disclosed
EP-3495341-A1 METHOD FOR PRODUCING PERFLUOROALKYL COMPOUND USING MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL Kanto Denka Kogyo Co., Ltd. (JP) 2019-06-12 EP disclosed
US-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2019-06-06 US disclosed
EP-2970215-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2019-04-17 EP disclosed
WO-2014140310-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 WO disclosed
US-20140275087-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 US disclosed
WO-2013110590-A1 SUBSTITUTED PHENYLIMIDAZOPYRAZOLES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-08-01 WO disclosed
WO-2013110590-A1 SUBSTITUTED PHENYLIMIDAZOPYRAZOLES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-08-01 WO disclosed
US-20130190290-A1 Substituted phenylimidazopyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 US disclosed
US-20130190290-A1 Substituted phenylimidazopyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 US disclosed
US-20130190290-A1 Substituted phenylimidazopyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 US disclosed
US-8324207-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-04 US disclosed
US-20120232059-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-13 US disclosed
US-20110172229-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-14 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 (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-20230149414-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB CA1 4780/4885CA2 4715/4885CA5A 1811/4885
US-11785845-B2 Composition ADH1A, ADH1C, SLC19A2 CA1 1014/4885CA2 3536/4885CA5A 2239/4885
US-20110172229-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CA1 4884/4885CA2 2789/4885CA5A 1711/4885
US-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL PFKFB1, PFKFB4, PFAS CA1 1820/4885CA2 1598/4885CA5A 2000/4885
US-20140275087-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC6A7, GFPT1, SUGT1 CA1 2796/4885CA2 808/4885CA5A 1331/4885
US-20120232059-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 CA1 4884/4885CA2 2789/4885CA5A 1711/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS CA1 1820/4885CA2 1598/4885CA5A 2000/4885
US-20130190290-A1 Substituted phenylimidazopyrazoles and their use VHL, FLT4, FLT1 CA1 4785/4885CA2 2790/4885CA5A 1033/4885

“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.