SCHEMBL14218307

SCHEMBL14218307

O=C(O)CC(NC(=O)C1CCC(F)(F)CC1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.60
ITGA2B P08514 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.54
CCR5 P51681 12/20 0.53
KCNQ3 O43525 1/20 0.52
KCNQ2 O43526 1/20 0.52
KCNH2 Q12809 3/20 0.50
CYP3A4 P08684 1/20 0.50
ADRA2A P08913 1/20 0.50
CYP2C9 P11712 1/20 0.50
KCNE1 P15382 1/20 0.50
OPRM1 P35372 1/20 0.50
KCNQ1 P51787 1/20 0.50
SLC47A1 Q96FL8 1/20 0.50
RECQL P46063 1/20 0.48
LMNA P02545 1/20 0.47
F2R P25116 1/20 0.46

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
SCHEMBL3882540 1.00 ITGB3 (0.60) ITGB3ITGA2BSMN1; SMN2CCR5KCNQ3
SCHEMBL14420637 0.90 CCR5 (0.54) ITGB3ITGA2BSMN1; SMN2CCR5KCNQ3
SCHEMBL4130344 0.90 CCR5 (0.54) ITGB3ITGA2BSMN1; SMN2CCR5KCNQ3
SCHEMBL14416420 0.89 CCR5 (0.53) ITGB3ITGA2BSMN1; SMN2CCR5KCNQ3
SCHEMBL22904305 0.88 KCNQ3 (0.65) CCR5KCNQ3KCNQ2KCNH2CYP3A4
SCHEMBL22904186 0.88 KCNQ3 (0.65) CCR5KCNQ3KCNQ2KCNH2CYP3A4
SCHEMBL16201140 0.88 CCR5 (0.52) ITGB3ITGA2BSMN1; SMN2CCR5KCNQ3
SCHEMBL9829153 0.87 ITGB3 (0.59) ITGB3ITGA2BSMN1; SMN2CCR5KCNQ3
SCHEMBL27617486 0.87 CCR5 (0.53) ITGB3ITGA2BCCR5KCNQ3KCNQ2
SCHEMBL3881134 0.86 CCR5 (0.57) ITGB3ITGA2BCCR5KCNQ3KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10556899-B2 Method for preparing Maraviroc SCI PHARMTECH, INC. (TW) 2020-02-11 US disclosed
US-20190248782-A1 METHOD FOR PREPARING MARAVIROC SCI PHARMTECH, INC. (TW) 2019-08-15 US disclosed
US-7368460-B2 Tropane derivatives useful in therapy PFIZER, INC. (US) 2008-05-06 US disclosed
US-20070218486-A1 Immunoassays, Haptens, Immunogens and Antibodies for Anti-HIV Therapeutics ARK DIAGNOSTICS, INC. (US) 2007-09-20 US disclosed
US-20070218486-A1 Immunoassays, Haptens, Immunogens and Antibodies for Anti-HIV Therapeutics ARK DIAGNOSTICS, INC. (US) 2007-09-20 US disclosed
WO-2007103740-A2 IMMUNOASSAYS, HAPTENS, IMMUNOGENS AND ANTIBODIES FOR ANTI-HIV THERAPEUTICS ARK DIAGNOSTICS (US) 2007-09-13 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-10556899-B2 Method for preparing Maraviroc CYP3A43, NAT10, CYP3A5 ITGB3 1945/4885ITGA2B 3699/4885SMN1; SMN2 4253/4885
US-20190248782-A1 METHOD FOR PREPARING MARAVIROC CYP3A43, NAT10, CYP3A5 ITGB3 1945/4885ITGA2B 3699/4885SMN1; SMN2 4253/4885

“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.