SCHEMBL1638010

SCHEMBL1638010

Nc1ccccc1C(=O)CC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
GAA P10253 1/20 0.46
PTGS1 P23219 2/20 0.45
ALDH1A1 P00352 10/20 0.44
HSD17B10 Q99714 8/20 0.44
CFTR P13569 1/20 0.44
P2RX1 P51575 1/20 0.44
KDM4E B2RXH2 7/20 0.42
TSHR P16473 3/20 0.41
HPGD P15428 5/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 2/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL30308269 1.00 MAPT (0.46) MAPTGAAPTGS1ALDH1A1HSD17B10
SCHEMBL8233747 0.81 ALDH1A1 (0.49) MAPTGAAALDH1A1HSD17B10CFTR
SCHEMBL25294776 0.78 PTPN1 (0.55) MAPTGAAALDH1A1HPGDNPC1
SCHEMBL11772974 0.78 HPGD (0.50) MAPTGAAALDH1A1HSD17B10P2RX1
SCHEMBL6441101 0.78 MAPT (0.47) MAPTGAAPTGS1ALDH1A1HSD17B10
SCHEMBL7754046 0.78 MAPT (0.50) MAPTGAAPTGS1ALDH1A1HSD17B10
SCHEMBL2636944 0.75 MAPT (0.52) MAPTGAAALDH1A1HSD17B10CFTR
SCHEMBL10572853 0.75 MAPT (0.52) MAPTGAAALDH1A1HSD17B10CFTR
SCHEMBL28527938 0.74 MAPT (0.47) MAPTGAAPTGS1ALDH1A1HSD17B10
SCHEMBL27484660 0.74 AKR1C3 (0.55) MAPTGAAALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117843651-B Tetrahydrofuran [3,2-b ] indoline compound containing trifluoromethyl quaternary carbon center and preparation method thereof 盐城工学院 2024-09-10 CN claimed
CN-116082269-B 1,3, 4-Oxazoline compound containing trifluoromethyl quaternary carbon center and preparation method thereof 盐城工学院 2024-06-21 CN claimed
CN-117843651-A Tetrahydrofuran [3,2-b ] indoline compound containing trifluoromethyl quaternary carbon center and preparation method thereof 盐城工学院 2024-04-09 CN claimed
CN-116082269-A 1,3, 4-oxazoline compound containing trifluoromethyl quaternary carbon center and preparation method thereof 盐城工学院 2023-05-09 CN claimed
CN-117843651-B Tetrahydrofuran [3,2-b ] indoline compound containing trifluoromethyl quaternary carbon center and preparation method thereof 盐城工学院 2024-09-10 CN disclosed
CN-116082269-B 1,3, 4-Oxazoline compound containing trifluoromethyl quaternary carbon center and preparation method thereof 盐城工学院 2024-06-21 CN disclosed
CN-117843651-A Tetrahydrofuran [3,2-b ] indoline compound containing trifluoromethyl quaternary carbon center and preparation method thereof 盐城工学院 2024-04-09 CN disclosed
CN-116082269-A 1,3, 4-oxazoline compound containing trifluoromethyl quaternary carbon center and preparation method thereof 盐城工学院 2023-05-09 CN disclosed
US-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-04-28 US disclosed
US-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-04-28 US disclosed
US-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-04-28 US disclosed
WO-2009121033-A2 SUBSTITUTED NITROGEN HETEROCYCLES AND SYNTHESIS AND USES THEREOF UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 WO disclosed
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 US disclosed
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 US disclosed
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 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 (2 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-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof PAH, NAT1, NNT MAPT 3189/4885GAA 1143/4885PTGS1 156/4885
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof PAH, NAT1, NNT MAPT 3189/4885GAA 1143/4885PTGS1 156/4885

“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.