SCHEMBL16448765

SCHEMBL16448765

CC(=O)C(F)(F)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2C19 P33261 1/20 0.32
MMP8 P22894 1/20 0.31

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
SCHEMBL16786173 0.80
SCHEMBL16786172 0.80
SCHEMBL810721 0.79 TRPA1 (0.30)
SCHEMBL10021004 0.79 GRM2 (0.37) ALDH1A1TDP1CYP2C19MMP8
SCHEMBL16844624 0.78 TSHR (0.32)
SCHEMBL16139832 0.77 CES2 (0.43) ALDH1A1TDP1CYP2C19
SCHEMBL19501039 0.77 CYP2C19 (0.31) ALDH1A1TDP1CYP2C19
SCHEMBL12308676 0.77 MMP8 (0.33) ALDH1A1TDP1CYP2C19MMP8
SCHEMBL26004726 0.75 MMP8 (0.36) ALDH1A1CYP2C19MMP8
SCHEMBL16786176 0.75 L3MBTL1 (0.37) ALDH1A1TDP1

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-20230192756-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF Sage Therapeutics, LLC 2023-06-22 US disclosed
US-20170260173-A1 DIFLUOROLACTAM COMPOSITIONS FOR EP4-MEDIATED OSTEO RELATED DISEASES AND CONDTIONS MYOMETRICS, LLC (US) 2017-09-14 US disclosed
US-9701630-B2 Difluorolactam compositions for EP4-mediated osteo related diseases and conditions CAYMAN CHEMICAL COMPANY, INC. (US) 2017-07-11 US disclosed
US-9656000-B2 Wound dressing INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-05-23 US disclosed
US-20170066751-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS CAYMAN CHEMICAL CO INC (US) 2017-03-09 US disclosed
US-20160340306-A1 DIFLUOROLACTAM COMPOSITIONS FOR EP4-MEDIATED OSTEO RELATED DISEASES AND CONDITIONS CAYMAN CHEMICAL COMPANY, INCORPORATED 2016-11-24 US disclosed
US-9440919-B2 Difluorolactam compositions for EP4-mediated osteo related diseases and conditions CAYMAN CHEMICAL COMPANY, INC. (US) 2016-09-13 US disclosed
US-20160022701-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS INC (US) 2016-01-28 US disclosed
US-20150174099-A1 DIFLUOROLACTAM COMPOSITIONS FOR EP4-MEDIATED OSTEO RELATED DISEASES AND CONDITIONS CAYMAN CHEMICAL COMPANY, INCORPORATED 2015-06-25 US disclosed
US-20150158903-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. (US) 2015-06-11 US disclosed
US-8951599-B2 Wound dressing INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-02-10 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 (7 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-20160022701-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF CYP21A2, CYP24A1, HSD17B2 ALDH1A1 1548/4885TDP1 3247/4885CYP2C19 406/4885
US-20150174099-A1 DIFLUOROLACTAM COMPOSITIONS FOR EP4-MEDIATED OSTEO RELATED DISEASES AND CONDITIONS PTGER4, PTGER1, PTGER3 ALDH1A1 751/4885TDP1 4572/4885CYP2C19 470/4885
US-20170260173-A1 DIFLUOROLACTAM COMPOSITIONS FOR EP4-MEDIATED OSTEO RELATED DISEASES AND CONDTIONS PTGER4, PTGER1, EPB41 ALDH1A1 419/4885TDP1 3957/4885CYP2C19 276/4885
US-20230192756-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF CHRNB4, CHRNB3, MC2R ALDH1A1 1160/4885TDP1 4382/4885CYP2C19 603/4885
US-20160340306-A1 DIFLUOROLACTAM COMPOSITIONS FOR EP4-MEDIATED OSTEO RELATED DISEASES AND CONDITIONS PTGER4, PTGER1, PTGER3 ALDH1A1 542/4885TDP1 4313/4885CYP2C19 397/4885
US-20150158903-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF CHRNB4, CHRNB3, MC2R ALDH1A1 1160/4885TDP1 4382/4885CYP2C19 603/4885
US-20170066751-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS PTGER4, PTGER1, PTGER3 ALDH1A1 654/4885TDP1 3033/4885CYP2C19 859/4885

“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.