SCHEMBL21032548

SCHEMBL21032548

CCOC(=O)Cn1c(C)c(Cc2ccc3c(c2)N(C)S(=O)(=O)C=C3)c2cc(F)ccc21

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.81
ALDH1A1 P00352 1/20 0.42
HK1 P19367 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HKDC1 Q2TB90 1/20 0.42

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
SCHEMBL21032592 0.90 PTGDR2 (1.00) PTGDR2
SCHEMBL21032549 0.82 PTGDR2 (0.55) PTGDR2ALDH1A1HK1SMN1; SMN2HKDC1
SCHEMBL2670064 0.78 PTGDR2 (0.62) PTGDR2ALDH1A1HK1SMN1; SMN2HKDC1
SCHEMBL21031900 0.75 PTGDR2 (0.59) PTGDR2ALDH1A1HK1SMN1; SMN2HKDC1
SCHEMBL2670041 0.75 PTGDR2 (0.64) PTGDR2ALDH1A1HK1SMN1; SMN2HKDC1
Benzaldehyde SCHEMBL2879447 0.74 PTGDR2 (0.57) PTGDR2ALDH1A1HK1SMN1; SMN2HKDC1
SCHEMBL21032892 0.73 ALDH1A1 (0.56) PTGDR2ALDH1A1HK1SMN1; SMN2HKDC1
SCHEMBL3187497 0.72 PTGDR2 (0.54) PTGDR2SMN1; SMN2
SCHEMBL21031885 0.72 PTGDR2 (1.00) PTGDR2
SCHEMBL2670013 0.72 PTGDR2 (0.58) PTGDR2ALDH1A1HK1SMN1; SMN2HKDC1

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 PTGDR2 97/4885ALDH1A1 1366/4885HK1 1806/4885
US-10800765-B2 Indole derivative used as CRTH2 inhibitor NR3C2, CRHR2, TPH2 PTGDR2 97/4885ALDH1A1 1366/4885HK1 1806/4885

“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.