SCHEMBL14719083

SCHEMBL14719083

CC(O[C]=O)SCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 2/20 0.43
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL3766948 0.81 ALDH1A1 (0.53) ALDH1A1HPGDTSHRPOLBCYP2C19
SCHEMBL14718636 0.75 MAPT (0.44) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL2397527 0.72 ALDH1A1 (0.58) ALDH1A1HPGDTSHRPOLBCYP2C19
SCHEMBL6856779 0.71 ALDH1A1 (0.62) ALDH1A1HPGDTSHRPOLBCYP2C19
SCHEMBL3503446 0.71 ALDH1A1 (0.62) ALDH1A1HPGDTSHRPOLBCYP2C19
SCHEMBL31481622 0.71 ALDH1A1 (0.62) ALDH1A1HPGDTSHRPOLBCYP2C19
SCHEMBL3325090 0.71 ALDH1A1 (0.51) ALDH1A1TSHRCYP1A2RAB9ANPC1
SCHEMBL19514727 0.71 ALDH1A1 (0.56) ALDH1A1HPGDTSHRPOLBCYP2C19
SCHEMBL5186243 0.70 ALDH1A1 (0.51) ALDH1A1HPGDTSHRPOLBCYP2C19
SCHEMBL28409396 0.70 ALDH1A1 (0.47) ALDH1A1HPGDTSHRCYP1A2MEN1

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-20130052690-A1 PCR PRIMER AND METHOD FOR REDUCING NON-SPECIFIC NUCLEIC ACID AMPLIFICATION USING A PHOTOLABILE PROTECTING GROUP SAMSUNG ELECTRONICS CO., LTD. (KR) 2013-02-28 US claimed
US-20130310269-A1 HOT-START DIGITAL PCR SO AUSTIN (US) 2013-11-21 US disclosed
WO-2013166466-A1 HOT-START DIGITAL PCR BIO-RAD LABORATORIES, INC. (US) 2013-11-07 WO disclosed
US-20130052690-A1 PCR PRIMER AND METHOD FOR REDUCING NON-SPECIFIC NUCLEIC ACID AMPLIFICATION USING A PHOTOLABILE PROTECTING GROUP SAMSUNG ELECTRONICS CO., LTD. (KR) 2013-02-28 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-20130052690-A1 PCR PRIMER AND METHOD FOR REDUCING NON-SPECIFIC NUCLEIC ACID AMPLIFICATION USING A PHOTOLABILE PROTECTING GROUP POLL, POLRMT, POLN ALDH1A1 1877/4885HPGD 2897/4885TSHR 3492/4885

“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.