SCHEMBL20032491

SCHEMBL20032491

CCC(CC)c1ccc(Cl)cc1-c1cccc(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 7/20 0.50
CYP2C9 P11712 3/20 0.50
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
EIF4EBP1 Q13541 5/20 0.46
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
CYP3A4 P08684 1/20 0.44
KMO O15229 1/20 0.43

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
SCHEMBL18713727 0.88 PTGER1 (0.49) PTGER1CYP2C9RXRARXRBEIF4EBP1
SCHEMBL21164476 0.88 PARP1 (0.49) PTGER1CYP2C9AKR1C3AKR1C2
SCHEMBL18713573 0.86 HPGD (0.50)
SCHEMBL18714009 0.86 CECR2 (0.43) CYP3A4
SCHEMBL18713736 0.86 NR4A2 (0.43) EIF4EBP1
SCHEMBL18713734 0.85 TRPV1 (0.48)
SCHEMBL21508064 0.85 RXRA (0.53) PTGER1CYP2C9RXRARXRBEIF4EBP1
SCHEMBL21164536 0.83 DHFR (0.39) CYP2C9
SCHEMBL18713832 0.82 KMT2A (0.49)
Hydrochloric Acid SCHEMBL559369 0.82 GABBR2 (0.46) PTGER1CYP2C9RXRARXRBEIF4EBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2021-03-16 US disclosed
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ROIVANT SCIENCES GMBH (CH) 2020-07-30 US disclosed
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 US disclosed
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 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 (4 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-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PTGER1 130/4885CYP2C9 196/4885RXRA 2879/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PTGER1 130/4885CYP2C9 196/4885RXRA 2879/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A PTGER1 130/4885CYP2C9 196/4885RXRA 2879/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A PTGER1 130/4885CYP2C9 196/4885RXRA 2879/4885

“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.