SCHEMBL21031897

SCHEMBL21031897

COc1ccc(CN2Cc3cc(CO)ccc3S2(=O)=O)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
APLNR P35414 1/20 0.39
POLB P06746 3/20 0.39
MAPT P10636 1/20 0.38
PTBP1 P26599 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
SCHEMBL24179988 0.90 MEN1 (0.43) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL21031905 0.84 KDM4E (0.44) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL21031895 0.84 NAMPT (0.44) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL21031899 0.83 KDM4E (0.42) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL24179990 0.76 NAMPT (0.43) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL18082655 0.75 KMT2A (0.42) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL24179991 0.74 KDM4E (0.41) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL16119336 0.74 KDM4E (0.47) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL31568301 0.71 KDM4E (0.42) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL31643389 0.69 MEN1 (0.59) MEN1KMT2ATDP1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 2875/4885KMT2A 2348/4885KDM4E 4467/4885
US-10800765-B2 Indole derivative used as CRTH2 inhibitor NR3C2, CRHR2, TPH2 MEN1 2875/4885KMT2A 2348/4885KDM4E 4467/4885

“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.