SCHEMBL3419086

SCHEMBL3419086

Nc1cc(F)c(F)cc1S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
HSD17B10 Q99714 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
TTR P02766 1/20 0.39
NQO1 P15559 1/20 0.39
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA4 P22748 3/20 0.36
CA6 P23280 3/20 0.36
CA5A P35218 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA5B Q9Y2D0 3/20 0.36
CASP6 P55212 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL3422621 0.89 ALDH1A1 (0.39) ALDH1A1HSD17B10TDP1CASP1CASP7
SCHEMBL3419698 0.84 CA2 (0.39) ALDH1A1HSD17B10TDP1CASP1CASP7
SCHEMBL3420702 0.84 BRD4 (0.39) ALDH1A1HSD17B10TDP1CASP1CASP7
SCHEMBL1412987 0.83 TTR (0.46) ALDH1A1HSD17B10TDP1CASP1CASP7
SCHEMBL28567480 0.80 TTR (0.45) ALDH1A1HSD17B10TDP1CASP1CASP7
SCHEMBL427123 0.80 TTR (0.45) ALDH1A1HSD17B10TDP1CASP1CASP7
SCHEMBL3422995 0.79 PKM (0.46) ALDH1A1HSD17B10TDP1CA1CA2
SCHEMBL2777430 0.79 CA1 (0.54) ALDH1A1TDP1CA12CA1CA2
Ammonia Solution, Strong SCHEMBL7550094 0.78 TTR (0.43) ALDH1A1HSD17B10TDP1CASP1CASP7
Ammonia Solution, Strong SCHEMBL7550098 0.78 TTR (0.43) ALDH1A1HSD17B10TDP1CASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2020-11-24 US disclosed
US-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2020-11-24 US disclosed
US-20200207716-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2020-07-02 US disclosed
US-20200207716-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2020-07-02 US disclosed
US-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
US-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2018-05-10 US disclosed
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2018-05-10 US disclosed
WO-2010057830-A1 RING FLUORINATED REACTIVE DYES DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2010-05-27 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 (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-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR ALDH1A1 3942/4885HSD17B10 4253/4885TDP1 3829/4885
US-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR ALDH1A1 3942/4885HSD17B10 4253/4885TDP1 3829/4885
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR ALDH1A1 3942/4885HSD17B10 4253/4885TDP1 3829/4885
US-20200207716-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR ALDH1A1 3942/4885HSD17B10 4253/4885TDP1 3829/4885

“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.