SCHEMBL695441

SCHEMBL695441

CSc1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
KIF11 P52732 5/20 0.42
HAO1 Q9UJM8 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 1/20 0.41
ORAI3 Q9BRQ5 1/20 0.41
TRPV6 Q9H1D0 1/20 0.41
MGLL Q99685 1/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 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
SCHEMBL23059789 0.87 KIF11 (0.39) ALDH1A1TSHRKDM4ENPC1POLB
SCHEMBL27159507 0.87 KIF11 (0.42) ALDH1A1TSHRKDM4ENPC1POLB
SCHEMBL7810764 0.84 SRD5A2 (0.61) TSHRNPC1RAB9AATMCES2
SCHEMBL5783420 0.84 CES2 (0.43) NOS3NOS1KIF11CES2CES1
SCHEMBL8654658 0.81 PTGS2 (0.58) KDM4ENPC1POLBRAB9AATM
SCHEMBL13026655 0.80 ESR1 (0.50) ALDH1A1NOS3NOS1KIF11SLC6A2
SCHEMBL14098636 0.80 EPHX2 (0.73) KDM4ENPC1RAB9AKIF11
SCHEMBL30628864 0.79 ALDH1A1 (0.43) ALDH1A1TSHRNOS3NOS1KIF11
SCHEMBL23266126 0.78 MAOB (0.64)
SCHEMBL11993900 0.78 MLYCD (0.37) ALDH1A1TSHRNOS3NOS1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450303-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-05-28 US claimed
US-8426401-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV 2013-04-23 US claimed
EP-2421847-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
EP-2421856-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
EP-2421860-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US claimed
US-20100331299-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-30 US claimed
US-20100324011-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124082-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
WO-2010124112-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
WO-2010124116-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-20240269293-A1 PROTEIN-MACROMOLECULE CONJUGATES AND METHODS OF USE THEREOF OD THERAPEUTICS LIMITED (CN) 2024-08-15 US disclosed
EP-4313154-A1 PROTEIN-MACROMOLECULE CONJUGATES AND METHODS OF USE THEREOF OD Therapeutics Limited (HK) 2024-02-07 EP disclosed
CN-117355337-A Protein-macromolecule conjugates and methods of use thereof 奥迪曼药业科技有限公司 2024-01-05 CN disclosed
WO-2023164236-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
EP-0044711-A1 9,11-Methano-13-aza-11a-carbathrombanoic acid analogues and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 1982-01-27 EP disclosed
EP-0040408-A1 Beta-lactam compounds and process for production thereof SANRAKU-OCEAN CO., LTD. (JP) 1981-11-25 EP disclosed
US-4289695-A REACTION OF A PHENICILLIN WITH AN N-CHLORO HALOGENATING AGENT IN PRESENCE OF A CROSSLINKED POLYVINYLPYRIDINE ELI LILLY AND COMPANY (US) 1981-09-15 US disclosed
EP-0011370-A1 Process for preparing 2-chlorosulfinyl-azetidinones ELI LILLY AND COMPANY (US) 1980-05-28 EP disclosed
US-4159272-A Process for 2-chlorosulfinylazetidin-4-ones ELI LILLY AND COMPANY (US) 1979-06-26 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 (4 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-20240269293-A1 PROTEIN-MACROMOLECULE CONJUGATES AND METHODS OF USE THEREOF CD44, MACROD1, MSN ALDH1A1 2362/4885TSHR 3309/4885KDM4E 3612/4885
US-20100324011-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA ALDH1A1 364/4885TSHR 2931/4885KDM4E 1931/4885
US-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA ALDH1A1 364/4885TSHR 2931/4885KDM4E 1931/4885
US-20100331299-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA ALDH1A1 364/4885TSHR 2931/4885KDM4E 1931/4885

“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.