SCHEMBL601844

SCHEMBL601844

CC(C)(C)OC(=O)C1CC1[C@H]1CC[C@H](c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.38
MAPT P10636 2/20 0.37
HSD11B1 P28845 1/20 0.36
CYP2C9 P11712 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
CYP2D6 P10635 1/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
P2RY14 Q15391 1/20 0.34
GPR119 Q8TDV5 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
SCHEMBL10188561 1.00 PDE5A (0.38) PDE5AMAPTHSD11B1CYP2C9MRGPRX4
SCHEMBL601842 1.00 PDE5A (0.38) PDE5AMAPTHSD11B1CYP2C9MRGPRX4
SCHEMBL601843 1.00 PDE5A (0.38) PDE5AMAPTHSD11B1CYP2C9MRGPRX4
SCHEMBL14973519 0.89 CYP2C9 (0.49) MAPTCYP2C9LMNAALDH1A1GPR119
SCHEMBL14973522 0.89 CYP2C9 (0.49) MAPTCYP2C9LMNAALDH1A1GPR119
SCHEMBL10188562 0.85 ALDH1A1 (0.42) MAPTCYP2C9LMNAALDH1A1
SCHEMBL601429 0.85 ALDH1A1 (0.42) MAPTCYP2C9LMNAALDH1A1
SCHEMBL10188595 0.81 NPC1 (0.42) PDE5AMAPTCYP2C9MRGPRX4LMNA
SCHEMBL600832 0.81 NPC1 (0.42) PDE5AMAPTCYP2C9MRGPRX4LMNA
SCHEMBL20524971 0.77 MAPK1 (0.45) PDE5AMAPTCYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 US disclosed
CN-102365273-A Thiadiazole and oxadiazole derivatives, preparation thereof, and therapeutic use thereof SANOFI AVENTIS 2012-02-29 CN disclosed
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 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-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF OXA1L, CYP11B2, CYP11B1 PDE5A 444/4885MAPT 2666/4885HSD11B1 59/4885

“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.