SCHEMBL5447486

SCHEMBL5447486

CCCNS(=O)(=O)c1ccc(CC(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.65
MEP1B Q16820 1/20 0.61
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
ALDH1A1 P00352 11/20 0.55
MAPT P10636 4/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HPGD P15428 2/20 0.53
GAA P10253 2/20 0.51
TSHR P16473 1/20 0.51
LMNA P02545 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NAMPT P43490 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL166809 0.87 ALDH1A1 (0.71) TBXA2RMEP1BALDH1A1MAPTCYP2C9
SCHEMBL394859 0.85 CA12 (0.53) TBXA2RMEP1BCA12CA1CA2
SCHEMBL12207094 0.82 TBXA2R (0.59) TBXA2RMEP1BCA12CA2CA9
SCHEMBL11104856 0.82 ALDH1A1 (0.77) TBXA2RMEP1BALDH1A1MAPTLMNA
SCHEMBL18151701 0.82 AKR1C3 (0.52) TBXA2RCA12CA9ALDH1A1CYP2C19
SCHEMBL11119146 0.80 TBXA2R (0.77) TBXA2RMEP1BCA12CA1CA2
SCHEMBL23787605 0.80 MEP1B (0.65) MEP1BCA12CA1CA2CA9
SCHEMBL11101980 0.80 TBXA2R (0.71) TBXA2RMEP1BCA1CA2ALDH1A1
SCHEMBL163727 0.80 MEP1B (0.59) TBXA2RMEP1BCA12CA1CA2
SCHEMBL18151859 0.79 ALDH1A1 (0.74) TBXA2RMEP1BCA12CA1CA2

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 12 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-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
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-10-20 US disclosed
EP-3077372-A1 ROR GAMMA (RORY) MODULATORS Lead Pharma Cel Models IP B.V. (NL) 2016-10-12 EP disclosed
WO-2015082533-A1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2015-06-11 WO disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
EP-1451172-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS AstraZeneca AB (SE) 2004-09-01 EP disclosed
WO-2003037887-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-05-08 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-20070010526-A1 Therapeutic isoquinoline compounds HTR1B, HTR1D, HTR1A TBXA2R 177/4885MEP1B 1965/4885CA12 4771/4885
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS RORC, RORA, RORB TBXA2R 1568/4885MEP1B 871/4885CA12 551/4885

“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.