SCHEMBL21032174

SCHEMBL21032174

CC1(C)CS(=O)(=O)c2ccc(C=O)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PTGS2 P35354 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A3 P47895 2/20 0.32
CYP2A6 P11509 4/20 0.32
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
HPGD P15428 2/20 0.31
AOX1 Q06278 1/20 0.31
TRIM24 O15164 1/20 0.31
ALDH5A1 P51649 1/20 0.31
ABAT P80404 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL670268 0.84 LOX (0.37) ALDH1A1TSHRTDP1HSD17B10KDM4E
SCHEMBL21032172 0.76 CA1 (0.37) ALDH1A1
SCHEMBL29921927 0.76 CA1 (0.37) ALDH1A1
SCHEMBL21028302 0.71 PTGDR2 (0.36) ALDH1A1TDP1HSD17B10KDM4EPTGS2
SCHEMBL10300869 0.71 PLCG1 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL3838099 0.69 RARB (0.57) ALDH1A1HSD17B10KDM4ERAB9ARARA
SCHEMBL15614868 0.67 RARB (0.36) ALDH1A1TSHRTDP1HSD17B10KDM4E
SCHEMBL30298339 0.67 RARB (0.40) ALDH1A1TSHRTDP1HSD17B10KDM4E
SCHEMBL13403195 0.67 CA1 (0.38) ALDH1A1TDP1MEN1MAPTKMT2A
SCHEMBL18741109 0.67 RARB (0.40) ALDH1A1TSHRTDP1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3489233-B1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-01-12 EP disclosed
US-10800765-B2 Indole derivative used as CRTH2 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-10-13 US disclosed
US-20190248770-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-08-15 US disclosed
EP-3489233-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP 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-20190248770-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR NR3C2, CRHR2, TPH2 ALDH1A1 1366/4885TSHR 128/4885TDP1 3940/4885
US-10800765-B2 Indole derivative used as CRTH2 inhibitor NR3C2, CRHR2, TPH2 ALDH1A1 1366/4885TSHR 128/4885TDP1 3940/4885

“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.