SCHEMBL18474245

SCHEMBL18474245

CC(C)Nc1ccc(CS(C)(=O)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
LMNA P02545 5/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
CYP3A4 P08684 2/20 0.42
THRB P10828 2/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX12 P18054 1/20 0.42
RECQL P46063 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL8339238 0.78 HPGD (0.50) TDP1LMNAALDH1A1L3MBTL1CYP3A4
SCHEMBL9528190 0.76 CA1 (0.47) TDP1LMNAALDH1A1CYP3A4SMN1; SMN2
SCHEMBL2971862 0.74 TDP1 (0.54) TDP1LMNAALDH1A1L3MBTL1CYP3A4
Hydrochloric Acid SCHEMBL9526198 0.74 CA1 (0.45) TDP1LMNAALDH1A1CYP3A4RECQL
SCHEMBL12089981 0.74 IDO1 (0.45) LMNAALDH1A1KDM4E
SCHEMBL13589509 0.74 TDP1 (0.48) TDP1LMNAALDH1A1L3MBTL1CYP3A4
SCHEMBL20012013 0.74 KEAP1 (0.56) TDP1LMNAALDH1A1L3MBTL1CYP3A4
SCHEMBL39430 0.73 TDP1 (0.72) TDP1LMNAALDH1A1L3MBTL1CYP3A4
SCHEMBL26640583 0.73 LMNA (0.49) TDP1LMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL9020740 0.73 ALDH1A1 (0.42) TDP1LMNAALDH1A1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086713-A1 CGAS IN SYSTEMIC LUPUS ERYTHEMATOSUS (SLE) UNIVERSITY OF WASHINGTON 2018-03-29 US disclosed
US-20170037007-A1 SUBSTITUTED N-(2-(AMINO)-2OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES X-RX, INC. 2017-02-09 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-20170037007-A1 SUBSTITUTED N-(2-(AMINO)-2OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES ENPP2, LPAR2, LPCAT3 TDP1 2162/4885LMNA 1417/4885ALDH1A1 2980/4885
US-20180086713-A1 CGAS IN SYSTEMIC LUPUS ERYTHEMATOSUS (SLE) STING1, IRF3, CGAS TDP1 49/4885LMNA 483/4885ALDH1A1 3184/4885

“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.