SCHEMBL18151701

SCHEMBL18151701

CCCNS(=O)(=O)c1cccc(CC(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.52
ALDH1A1 P00352 2/20 0.51
ATM Q13315 1/20 0.51
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
PRMT1 Q99873 1/20 0.48
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
TBXA2R P21731 1/20 0.46
CYP3A4 P08684 1/20 0.46
ROCK1 Q13464 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45

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
SCHEMBL2766417 0.88 ALDH1A1 (0.52) AKR1C3ALDH1A1ATMHDAC2HDAC8
SCHEMBL397724 0.87 AKR1C3 (0.48) AKR1C3ALDH1A1ATMHDAC2HDAC8
SCHEMBL3713687 0.83 KMT2A (0.56) AKR1C3ALDH1A1KMT2APRMT1CA12
SCHEMBL5447486 0.82 TBXA2R (0.65) ALDH1A1CYP2C19KMT2ACA12CA9
SCHEMBL3846633 0.82 PTGDR2 (0.49) AKR1C3CYP2C19PTGDR2
SCHEMBL17049845 0.81 KMT2A (0.65) ALDH1A1ATMCYP2C19KMT2APRMT1
SCHEMBL16799605 0.81 PTGDR2 (0.46) ALDH1A1CYP2C19PTGDR2
SCHEMBL30866646 0.79 CYP2C19 (0.76) AKR1C3ALDH1A1HDAC2HDAC8HDAC6
SCHEMBL13614830 0.79 CYP2C19 (0.76) AKR1C3ALDH1A1HDAC2HDAC8HDAC6
SCHEMBL397008 0.79 ALDH1A1 (0.49) AKR1C3ALDH1A1ATMHDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3077372-B1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA HOLDING BV (NL) 2019-02-06 EP disclosed
US-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 US disclosed
US-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 US disclosed
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-10-20 US disclosed
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-10-20 US 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 (1 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-20160304448-A1 ROR GAMMA (RORy) MODULATORS RORC, RORA, RORB AKR1C3 826/4885ALDH1A1 1054/4885ATM 4795/4885

“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.