SCHEMBL7969088

SCHEMBL7969088

O=C(O)Cc1cccc(C(=O)Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.54
FOLH1 Q04609 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
CA2 P00918 1/20 0.46
AGBL2 Q5U5Z8 1/20 0.46
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RGS12 O14924 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
NFKB1 P19838 1/20 0.46
APEX1 P27695 1/20 0.46
THPO P40225 1/20 0.46
BLM P54132 1/20 0.46
GNAI1 P63096 1/20 0.46
PMP22 Q01453 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
SCHEMBL18412078 0.86 ALDH1A1 (0.46) FOLH1TSHRHPGDNFKB1ALDH1A1
SCHEMBL29382329 0.84 FOLH1 (0.66) AKR1B1FOLH1CA2HIF1A
SCHEMBL19202273 0.84 AKR1B1 (0.58) AKR1B1FOLH1CYP1A2CYP2C19AGBL2
SCHEMBL2707508 0.84 FOLH1 (0.66) AKR1B1FOLH1CA2HIF1A
SCHEMBL18095084 0.82 FOLH1 (0.63) AKR1B1FOLH1CA2HIF1A
SCHEMBL19154056 0.82 CTBP2 (0.47) AKR1B1FOLH1CYP1A2CYP2C19CA2
SCHEMBL4950108 0.82 ALDH1A1 (0.48) FOLH1CA2TSHRALDH1A1
SCHEMBL15093745 0.81 KEAP1 (0.57) FOLH1ALDH1A1
SCHEMBL70565 0.81 AKR1B1 (0.71) AKR1B1CYP1A2CYP2C19CA2TSHR
SCHEMBL6201817 0.81 PRSS1 (0.58) FOLH1CA2TSHRLMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204073-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC THERAPEUTICS, INC. (US) 2017-07-20 US disclosed
US-6200978-B1 FOR PREVENTING OR TREATING INFLAMMATORY DISEASES SUCH AS ARTHRITIS, PSORIASIS, ASTHMA, OR INFLAMMATORY BOWEL DISEASE, DISORDERS OF RESPIRATORY FUNCTION, GASTROINTESTINAL DISORDERS SUCH AS FUNCTIONAL BOWEL DISEASE, AS ANALGESICS PFIZER INC. 2001-03-13 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-20170204073-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE NSUN2, UPF1, NSUN3 AKR1B1 3079/4885FOLH1 3715/4885CYP1A2 4709/4885

“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.