SCHEMBL191977

SCHEMBL191977

Cc1ccc(N=C=S)c(Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
ABCB11 O95342 1/20 0.36
NR3C1 P04150 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ADRA2C P18825 1/20 0.36
MAOA P21397 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR2B P41595 1/20 0.36
CCR2 P41597 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
APLNR P35414 1/20 0.35
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL31230877 0.80 ABCB11 (0.38) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4
SCHEMBL2698392 0.80 ALDH1A1 (0.38) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4
SCHEMBL1661841 0.80 ABCB11 (0.38) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4
SCHEMBL24538297 0.77 ALDH1A1 (0.36) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4
SCHEMBL24553955 0.74 ALDH1A1 (0.30) ALDH1A1
SCHEMBL12828301 0.74 CCR1 (0.36) ALDH1A1CYP1A2HPGDCCR1RAB9A
SCHEMBL21597423 0.73 ALDH1A1 (0.36) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4
SCHEMBL24538296 0.72 TDP1 (0.39) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4
SCHEMBL24553956 0.70
SCHEMBL10436334 0.69 ALDH1A1 (0.41) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE UCB Biopharma SRL (BE) 2024-06-25 US disclosed
WO-2022128845-A1 HETEROAROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2022-06-23 WO disclosed
WO-2022129018-A1 HETEROAROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2022-06-23 WO disclosed
EP-3810606-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2021-04-28 EP disclosed
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 WO disclosed
EP-1986645-B1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2012-01-04 EP disclosed
US-8022222-B2 Glucokinase activators ARRAY BIOPHARMA, INC. (US) 2011-09-20 US disclosed
US-20090247526-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-10-01 US disclosed
CN-101437512-A Glucokinase activators ARRAY BIOPHARMA INC (US) 2009-05-20 CN disclosed
EP-1986645-A1 GLUCOKINASE ACTIVATORS Array Biopharma, Inc. (US) 2008-11-05 EP disclosed
WO-2007089512-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2007-08-09 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-20090247526-A1 GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 ALDH1A1 1869/4885ABCB11 3518/4885NR3C1 1846/4885
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE TSLP, CYSLTR1, CYSLTR2 ALDH1A1 233/4885ABCB11 43/4885NR3C1 22/4885

“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.