SCHEMBL20541663

SCHEMBL20541663

CC(=O)Nc1sc2c(c1C(=O)O)CCCCC2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.74
HPGD P15428 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
MAPT P10636 1/20 0.74
MEN1 O00255 4/20 0.73
KMT2A Q03164 4/20 0.73
PTPN1 P18031 3/20 0.73
CYP1A2 P05177 2/20 0.73
CYP2C19 P33261 1/20 0.73
FLT3 P36888 1/20 0.73
KDM4E B2RXH2 2/20 0.71
PTPRC P08575 1/20 0.70
PTPN2 P17706 1/20 0.70
PTPRB P23467 1/20 0.70
PTPRE P23469 1/20 0.70
PTPN6 P29350 1/20 0.70
GAA P10253 1/20 0.67
CYP2C9 P11712 1/20 0.66
ABCC1 P33527 4/20 0.64
NPC1 O15118 2/20 0.64

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
SCHEMBL3918254 0.98 MEN1 (0.75) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL20541948 0.95 KDM4E (0.75) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL8289718 0.86 FLT3 (0.97) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL22435152 0.85 PTPN1 (0.77) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL30764986 0.84 PTPN1 (0.73) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL3914847 0.84 FLT3 (1.00) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL20541804 0.84 FLT3 (0.75) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL10628409 0.83 PTPN1 (0.68) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL5370842 0.83 ALDH1A1 (1.00) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL5837972 0.83 PTPN1 (1.00) ALDH1A1HPGDSMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200123128-A1 SUBSTITUTED 2-ACYLAMINO-CYCLOALKYLTHIOPHENE-3-CARBOXYLIC ACID ARYLAMIDES AS INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNEL TMEM16A NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-04-23 US claimed
EP-3612180-A1 SUBSTITUTED 2-ACYLAMINO-CYCLOALKYLTHIOPHENE-3-CARBOXYLIC ACID ARYLAMIDES AS INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNEL TMEM16A The Regents of the University of California (US) 2020-02-26 EP claimed
WO-2018195127-A1 SUBSTITUTED 2-ACYLAMINO-CYCLOAKYLTHIOPHENE-3-CARBOXYLIC ACID ARYLAMIDES AS INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNEL TMEM16A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-10-25 WO claimed
EP-3612180-B1 SUBSTITUTED 2-ACYLAMINO-CYCLOALKYLTHIOPHENE-3-CARBOXYLIC ACID ARYLAMIDES AS INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNEL TMEM16A UNIV CALIFORNIA (US) 2023-10-11 EP disclosed
US-11358947-B2 Substituted 2-acylamino-cycloalkylthiophene-3-carboxylic acid arylamides as inhibitors of calcium-activated chloride channel TMEM16A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-14 US disclosed
US-20200123128-A1 SUBSTITUTED 2-ACYLAMINO-CYCLOALKYLTHIOPHENE-3-CARBOXYLIC ACID ARYLAMIDES AS INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNEL TMEM16A NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-04-23 US disclosed
EP-3612180-A1 SUBSTITUTED 2-ACYLAMINO-CYCLOALKYLTHIOPHENE-3-CARBOXYLIC ACID ARYLAMIDES AS INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNEL TMEM16A The Regents of the University of California (US) 2020-02-26 EP disclosed
WO-2018195127-A1 SUBSTITUTED 2-ACYLAMINO-CYCLOAKYLTHIOPHENE-3-CARBOXYLIC ACID ARYLAMIDES AS INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNEL TMEM16A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-10-25 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 (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-11358947-B2 Substituted 2-acylamino-cycloalkylthiophene-3-carboxylic acid arylamides as inhibitors of calcium-activated chloride channel TMEM16A TMEM161A, ANO2, TRPV6 ALDH1A1 1043/4885HPGD 2067/4885SMN1; SMN2 3477/4885
US-20200123128-A1 SUBSTITUTED 2-ACYLAMINO-CYCLOALKYLTHIOPHENE-3-CARBOXYLIC ACID ARYLAMIDES AS INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNEL TMEM16A TMEM161A, ANO2, TRPV6 ALDH1A1 1043/4885HPGD 2067/4885SMN1; SMN2 3477/4885

“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.