SCHEMBL21164503

SCHEMBL21164503

CCCC(CC)c1cccc(S(=O)(=O)CCC)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.39
CYP2C9 P11712 6/20 0.39
CYP2C19 P33261 5/20 0.39
CYP1A2 P05177 4/20 0.39
NR1I2 O75469 1/20 0.38
CYP3A4 P08684 5/20 0.38
CYP2D6 P10635 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.34
PSIP1 O75475 1/20 0.34
KMT2A Q03164 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
HSD11B1 P28845 1/20 0.33

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
SCHEMBL18713574 0.92 CCR5 (0.42) CCR5CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL21164434 0.91 PSIP1 (0.44) CCR5CYP2C9CYP2C19CYP1A2NR1I2
SCHEMBL20372757 0.84 CCR5 (0.41) CCR5NR1I2CYP3A4CYP2D6SMN1; SMN2
SCHEMBL20032390 0.83 CCR5 (0.40) CCR5CYP2C9CYP2C19CYP1A2NR1I2
SCHEMBL21164504 0.83 CA2 (0.50) CCR5CA1CA2
SCHEMBL17411225 0.81 NR1I2 (0.42) NR1I2SMN1; SMN2CA1CA2
SCHEMBL21470932 0.81 KAT6A (0.40) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL21164370 0.81 TNNI3K (0.41) CCR5NR1I2SMN1; SMN2CA1CA2
SCHEMBL18713459 0.80 PSIP1 (0.50) CCR5CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL17367964 0.78 DRD2 (0.42) CCR5CYP3A4CYP2D6SMN1; SMN2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 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-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CCR5 408/4885CYP2C9 196/4885CYP2C19 126/4885

“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.