SCHEMBL5450110

SCHEMBL5450110

CC(C)NS(=O)(=O)c1ccc(CC(=O)O)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.72
LMNA P02545 1/20 0.58
MEP1B Q16820 1/20 0.55
GAA P10253 2/20 0.55
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 1/20 0.51
TBXA2R P21731 1/20 0.51
ADAMTS4 O75173 1/20 0.50
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.48

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
SCHEMBL4175111 0.81 SMN1; SMN2 (0.55) NPSR1MEP1BALDH1A1KDM4ETBXA2R
SCHEMBL3621231 0.81 NPSR1 (0.64) NPSR1LMNAGAAALDH1A1ADAMTS4
SCHEMBL163727 0.81 MEP1B (0.59) NPSR1LMNAMEP1BGAAALDH1A1
SCHEMBL18151859 0.81 ALDH1A1 (0.74) NPSR1LMNAMEP1BGAAALDH1A1
SCHEMBL11105210 0.80 POLB (0.56) NPSR1ALDH1A1KDM4EADAMTS4POLB
SCHEMBL12188834 0.79 NPSR1 (0.61) NPSR1LMNAGAAALDH1A1POLB
SCHEMBL166809 0.78 ALDH1A1 (0.71) LMNAMEP1BALDH1A1KDM4ETBXA2R
SCHEMBL24366901 0.77 NPSR1 (0.59) NPSR1LMNAGAAALDH1A1POLB
SCHEMBL7021143 0.77 NPSR1 (0.59) NPSR1LMNAGAAALDH1A1POLB
SCHEMBL16799991 0.77 PTGDR2 (0.49) NPSR1LMNAMEP1BGAAALDH1A1

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 11 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
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
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 NPSR1 53/4885LMNA 1833/4885MEP1B 1965/4885
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS RORC, RORA, RORB NPSR1 637/4885LMNA 3089/4885MEP1B 871/4885

“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.