SCHEMBL19251354

SCHEMBL19251354

CC(Oc1ccc(C(C)(C)C)cc1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
EPHX1 P07099 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
PARP10 Q53GL7 1/20 0.44
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PRSS1 P07477 1/20 0.43
ACR P10323 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
APEX1 P27695 1/20 0.42

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
SCHEMBL1116906 0.84 FPR2 (0.54) CA1CA2CA9PARP10PRSS1
SCHEMBL5273528 0.84 CYP1A2 (0.61) NR1H4SMN1; SMN2MAPTTDP1L3MBTL1
SCHEMBL5272169 0.84 CYP1A2 (0.61) NR1H4SMN1; SMN2MAPTTDP1L3MBTL1
SCHEMBL4343686 0.84 CYP1A2 (0.61) NR1H4SMN1; SMN2MAPTTDP1L3MBTL1
SCHEMBL19240368 0.82 MAPT (0.43) NR1H4SMN1; SMN2CA1CA2CA9
SCHEMBL4789341 0.81 MAPT (0.50) NR1H4SMN1; SMN2MAPTTDP1L3MBTL1
SCHEMBL7101191 0.81 SMN1; SMN2 (0.45) NR1H4SMN1; SMN2EPHX1CA1CA2
SCHEMBL11250027 0.80 SCN9A (0.60) ALDH1A1
SCHEMBL8613306 0.79 PARP10 (0.48) CA1CA2CA9PARP10TDP1
SCHEMBL7074556 0.79 KMT2A (0.54) PARP10MAPTTDP1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647683-B2 Hsp70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-05-12 US disclosed
US-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2019-08-08 US disclosed
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2018-06-21 US disclosed
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2018-06-21 US disclosed
US-9878987-B2 HSP70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-30 US disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 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-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 NR1H4 1556/4885SMN1; SMN2 288/4885EPHX1 1850/4885
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 NR1H4 1556/4885SMN1; SMN2 288/4885EPHX1 1850/4885
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 NR1H4 1765/4885SMN1; SMN2 196/4885EPHX1 2191/4885
US-10647683-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 NR1H4 1556/4885SMN1; SMN2 288/4885EPHX1 1850/4885

“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.